SCHEMBL11208820

SCHEMBL11208820

C[C@]12C=CC(=O)C=C1CCC1C2C(O)C[C@@]2(C)C1CC[C@]2(O)C(=O)COC(=O)CCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.82

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 8/20 0.67
HIF1A Q16665 8/20 0.82
LMNA P02545 2/20 0.82
PGR P06401 4/20 0.74
CYP3A4 P08684 3/20 0.67
HSD17B10 Q99714 2/20 0.67
AR P10275 2/20 0.67
ABCB11 O95342 1/20 0.67
TNF P01375 1/20 0.67
IL6 P05231 1/20 0.67
SERPINA6 P08185 1/20 0.67
NR3C2 P08235 1/20 0.67
GLUL P15104 1/20 0.67
ADAM17 P78536 1/20 0.67
GPBAR1 Q8TDU6 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 1/20 0.64
PMP22 Q01453 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60

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
SCHEMBL11327186 1.00 HIF1A (0.82) HIF1ALMNAPGRNR3C1CYP3A4
SCHEMBL11201714 0.92 HIF1A (0.79) HIF1ALMNAPGRNR3C1CYP3A4
SCHEMBL11201710 0.92 HIF1A (0.79) HIF1ALMNAPGRNR3C1CYP3A4
SCHEMBL11327192 0.92 HIF1A (0.78) HIF1ALMNAPGRNR3C1CYP3A4
SCHEMBL11327180 0.92 HIF1A (0.78) HIF1ALMNAPGRNR3C1CYP3A4
SCHEMBL16009510 0.91 HIF1A (0.91) HIF1ALMNAPGRNR3C1CYP3A4
Prednisolone Hemisuccinate SCHEMBL871872 0.90 HIF1A (1.00) HIF1ALMNAPGRNR3C1CYP3A4
Prednisolone Hemisuccinate SCHEMBL122046 0.90 HIF1A (1.00) HIF1ALMNAPGRNR3C1CYP3A4
SCHEMBL16018292 0.90 HIF1A (0.85) HIF1ALMNAPGRNR3C1CYP3A4
SCHEMBL11068483 0.89 HIF1A (0.84) HIF1ALMNAPGRNR3C1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010056-B1 CORTICOID SULFOPROPIONIC ACID ESTERS AND THEIR SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-08-24 EP disclosed