SCHEMBL11332832

SCHEMBL11332832

C[C@]12C=CC(=O)C=C1CCC1C2C(O)C[C@@]2(C)C1CC[C@]2(O)C(=O)COS(=O)(=O)c1cccc(C(=O)[O-])c1.[Na+]

nearest known ligand 0.65

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 14/20 0.62
▸ HIF1A Q16665 4/20 0.65
▸ LMNA P02545 2/20 0.65
▸ PGR P06401 4/20 0.64
▸ HSD17B10 Q99714 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ TNF P01375 1/20 0.62
▸ IL6 P05231 1/20 0.62
▸ SERPINA6 P08185 1/20 0.62
▸ NR3C2 P08235 1/20 0.62
▸ AR P10275 1/20 0.62
▸ GLUL P15104 1/20 0.62
▸ ADAM17 P78536 1/20 0.62
▸ GPBAR1 Q8TDU6 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ KMT2A Q03164 1/20 0.52
▸ USP2 O75604 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
Prednisolone SCHEMBL4318103 0.89 NR3C1 (0.71) HIF1ALMNAPGRNR3C1HSD17B10
Prednisolone SCHEMBL5013652 0.89 NR3C1 (0.71) HIF1ALMNAPGRNR3C1HSD17B10
Prednisolone Metazoate SCHEMBL29379658 0.88 PGR (0.68) HIF1ALMNAPGRNR3C1HSD17B10
Prednisolone Metazoate SCHEMBL5483013 0.88 PGR (0.68) HIF1ALMNAPGRNR3C1HSD17B10
Prednisolone Metazoate SCHEMBL2796992 0.88 PGR (0.68) HIF1ALMNAPGRNR3C1HSD17B10
Prednisolone Metazoate SCHEMBL1042225 0.88 PGR (0.68) HIF1ALMNAPGRNR3C1HSD17B10
Prednisolone Metazoate SCHEMBL5013651 0.88 PGR (0.68) HIF1ALMNAPGRNR3C1HSD17B10
SCHEMBL9069792 0.87 HIF1A (0.71) HIF1ALMNAPGRNR3C1HSD17B10
Prednisolone Metazoate SCHEMBL2916561 0.86 PGR (0.70) HIF1ALMNAPGRNR3C1HSD17B10
Prednisolone Metazoate SCHEMBL5483006 0.85 PGR (0.69) HIF1ALMNAPGRNR3C1HSD17B10

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
US-4296109-A ANTISHOCK, ANTIINFLAMMATORY SCHERING, AKTIENGESELLSCHAFT (DE) 1981-10-20 — — US disclosed
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