SCHEMBL871152

SCHEMBL871152

CC1=CC(=O)C=C2CCC3C(C(O)C[C@@]4(C)C3CC[C@]4(O)C(=O)COC(=O)CCC(=O)[O-])[C@@]12C.[Na+]

nearest known ligand 0.76

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 known ✓ P04150 5/20 0.51
▸ HIF1A Q16665 13/20 0.76
▸ LMNA P02545 3/20 0.76
▸ NFKB1 P19838 2/20 0.73
▸ PMP22 Q01453 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ PGR P06401 5/20 0.58
▸ MAPT P10636 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ SERPINA6 P08185 3/20 0.55
▸ AR P10275 2/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ CYP3A4 P08684 4/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ HSD17B10 Q99714 4/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ NR3C2 P08235 2/20 0.51
▸ ABCB11 O95342 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
SCHEMBL770501 0.92 HIF1A (0.72) HIF1ALMNANFKB1PMP22TSHR
SCHEMBL5712429 0.91 HIF1A (0.74) HIF1ALMNANFKB1PMP22TSHR
Succinic Acid SCHEMBL1477515 0.90 HIF1A (0.64) HIF1ALMNANFKB1PMP22TSHR
Succinic Acid SCHEMBL40948 0.90 HIF1A (0.64) HIF1ALMNANFKB1PMP22TSHR
SCHEMBL10527431 0.90 HIF1A (0.62) HIF1ALMNANFKB1PMP22TSHR
SCHEMBL10603555 0.88 HIF1A (0.65) HIF1ALMNANFKB1PMP22TSHR
SCHEMBL7574132 0.88 HIF1A (0.73) HIF1ALMNANFKB1PMP22TSHR
SCHEMBL7094755 0.88 HIF1A (0.60) HIF1ALMNANFKB1PMP22TSHR
SCHEMBL10700873 0.88 HIF1A (0.64) HIF1ALMNANFKB1PMP22TSHR
SCHEMBL13232 0.88 HIF1A (0.74) HIF1ALMNANFKB1PMP22TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744683-B1 APPARATUS AND METHOD FOR TRANSDERMAL DELIVERY OF PARATHYROID HORMONE AGENTS ALZA CORP (US) 2016-03-16 — — EP claimed
US-8361022-B2 Apparatus for transdermal delivery of parathyroid hormone agents ALZA CORPORATION (US) 2013-01-29 — — US claimed
US-20100152649-A1 Apparatus and method for transdermal delivery of parathyroid hormone agents ALZA CORPORATION (US) 2010-06-17 — — US claimed
EP-1706176-A4 FREQUENCY ASSISTED TRANSDERMAL AGENT DELIVERY METHOD AND SYSTEM ALZA CORP (US) 2008-06-25 — — EP claimed
EP-1686904-A4 ULTRASOUND ASSISTED TRANSDERMAL VACCINE DELIVERY METHOD AND SYSTEM ALZA CORP (US) 2008-02-27 — — EP claimed
EP-1680178-A4 SYSTEM AND METHOD FOR TRANSDERMAL VACCINE DELIVERY ALZA CORP (US) 2008-01-02 — — EP claimed
JP-2007530680-A — — 2007-11-01 — — JP claimed
EP-1744683-A2 APPARATUS AND METHOD FOR TRANSDERMAL DELIVERY OF PARATHYROID HORMONE AGENTS ALZA Corporation (US) 2007-01-24 — — EP claimed
EP-1737434-A2 APPARATUS AND METHOD FOR TRANSDERMAL DELIVERY OF FENTANYL-BASED AGENTS ALZA CORPORATION (US) 2007-01-03 — — EP claimed
EP-1734993-A2 APPARATUS AND METHOD FOR TRANSDERMAL DELIVERY OF INFLUENZA VACCINE ALZA CORPORATION (US) 2006-12-27 — — EP claimed
US-20050112135-A1 Ultrasound assisted transdermal vaccine delivery method and system ALZA CORPORATION 2005-05-26 — — US claimed
WO-2005044366-A2 SYSTEM AND METHOD FOR TRANSDERMAL VACCINE DELIVERY ALZA CORPORATION (US) 2005-05-19 — — WO claimed
WO-2005042702-A2 COMPOSITIONS OF STABILIZED DNA FOR COATING MICROPROJECTIONS ALZA CORPORATION (US) 2005-05-12 — — WO claimed
US-20050090009-A1 Compositions of stabilized DNA for coating microprojctions ALZA CORPORATION 2005-04-28 — — US claimed
US-20050049549-A1 Method and device for enhancing transdermal agent flux ALZA CORPORATION 2005-03-03 — — US claimed
WO-2005016440-A1 METHOD AND DEVICE FOR ENHANCING TRANSDERMAL AGENT FLUX ALZA CORPORATION (US) 2005-02-24 — — WO claimed
US-20050031676-A1 Method and device for enhancing transdermal agent flux ALZA CORPORATION 2005-02-10 — — US claimed
US-20050025778-A1 Microprojection array immunization patch and method ALZA CORPORATION 2005-02-03 — — US claimed
WO-2005002453-A1 MICROPROJECTION ARRAY IMMUNIZATION PATCH AND METHOD ALZA CORPORATION (US) 2005-01-13 — — WO claimed
WO-2003082251-A2 THE EFFERVESCENT PHARMACEUTICAL DOSAGE FORM OF ESTERS AND ESTER SALTS OF 6 α METHYLPREDNISOLONE SUCCINATE, PROCEDURE FOR ITS OBTAINING AND APPLICATION HEMOFARM KONCERN A.D. PHARMACEUTICAL AND CHEMICAL INDUSTRY (YU) 2003-10-09 — — WO claimed
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