Diflucortolone 21-Valerate

Diflucortolone 21-Valerate

SCHEMBL2353254

CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.O

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Diflucortolone 21-Valerate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2B known ✓ P41595 1/20 0.72
ADORA3 known ✓ P0DMS8 3/20 0.62
CHRM1 known ✓ P11229 2/20 0.52
ADRA1A known ✓ P35348 1/20 0.52
PGR P06401 8/20 0.72
NR1I2 O75469 3/20 0.72
AR P10275 7/20 0.62
HIF1A Q16665 7/20 0.62
CYP3A4 P08684 5/20 0.62
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NR3C1 P04150 9/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
NR3C2 P08235 1/20 0.52
ABCB11 O95342 2/20 0.52
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Diflucortolone 21-Valerate SCHEMBL11243011 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL1021717 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL3015 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL9388448 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL13158 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL2790985 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL13157 0.99 PGR (0.73) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL162594 0.98 PGR (0.72) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL4454848 0.98 PGR (0.72) PGRNR1I2HTR2BARHIF1A
Diflucortolone 21-Valerate SCHEMBL20571795 0.98 PGR (0.72) PGRNR1I2HTR2BARHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107880-A1 Spinal intervertebral implant, interconnections for such implant and processes for making OSTEOTECH, INC. 2005-05-19 US claimed
EP-1450736-A2 SPINAL INTERVERTEBRAL IMPLANT, INTERCONNECTIONS FOR SUCH IMPLANT AND PROCESSES FOR MAKING Osteotech, Inc. (US) 2004-09-01 EP claimed
WO-2003047473-A2 SPINAL INTERVERTEBRAL IMPLANT, INTERCONNECTIONS FOR SUCH IMPLANT AND PROCESSES FOR MAKING OSTEOTECH, INC. (US) 2003-06-12 WO claimed
US-20030105528-A1 Spinal intervertebral implant, interconnections for such implant and processes for making OSTEOTECH, INC. 2003-06-05 US claimed
US-20120150222-A1 Apparatus and method for anchoring sutures BARTLETT EDWIN C (US) 2012-06-14 US disclosed
US-8021390-B2 Apparatus and method for anchoring sutures BARTLETT EDWIN C 2011-09-20 US disclosed
US-7998171-B2 Apparatus and method for anchoring sutures DEPUY MITEK, INC. (US) 2011-08-16 US disclosed
US-20100217318-A9 APPARATUS AND METHOD FOR ANCHORING SUTURES BARTLETT EDWIN C 2010-08-26 US disclosed
US-7726002-B2 Processes for making spinal intervertebral implant, interconnections for such implant OSTEOTECH, INC. (US) 2010-06-01 US disclosed
US-20070162074-A1 Apparatus and method for anchoring sutures BARTLETT EDWIN C 2007-07-12 US disclosed
US-7217280-B2 Apparatus and method for anchoring sutures BARTLETT EDWIN C 2007-05-15 US disclosed
US-20060036283-A1 Apparatus and method for anchoring sutures BARTLETT EDWIN C 2006-02-16 US disclosed
US-20040181257-A1 Apparatus and method for anchoring sutures BARTLETT EDWIN C (US) 2004-09-16 US disclosed
US-6749620-B2 Apparatus and method for anchoring sutures BARTLETT EDWIN C (US) 2004-06-15 US disclosed
US-20020099411-A1 Apparatus and method for anchoring sutures BARTLETT EDWIN C (US) 2002-07-25 US disclosed
US-6146408-A Apparatus and method for anchoring sutures BARTLETT EDWIN C (US) 2000-11-14 US disclosed
US-5879372-A Apparatus and method for anchoring sutures BARTLETT EDWIN C (US) 1999-03-09 US disclosed
US-5626612-A Apparatus and method for anchoring sutures GENERAL HOSPITAL CORPORATION, THE 1997-05-06 US disclosed
EP-0670697-A1 APPARATUS AND METHOD FOR ANCHORING SUTURES Bartlett, Edwin C. (US) 1995-09-13 EP disclosed
WO-1995008295-A2 APPARATUS AND METHOD FOR ANCHORING SUTURES BARTLETT EDWIN C (US) 1995-03-30 WO disclosed