SCHEMBL2738485

SCHEMBL2738485

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C=C[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.67
HSD17B1 P14061 2/20 0.67
MAPT P10636 2/20 0.67
RECQL P46063 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HSD17B10 Q99714 1/20 0.56
ESR1 P03372 4/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
CNR1 P21554 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
STS P08842 5/20 0.52
KDM4E B2RXH2 2/20 0.51
ABCC4 O15439 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
SCHEMBL5024803 1.00 LMNA (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL12164090 1.00 LMNA (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10269569 0.90 LMNA (0.54) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL15984263 0.90 LMNA (0.54) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL16464726 0.87 ESR1 (0.62) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL14652477 0.87 ESR1 (0.62) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10356189 0.84 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL24946437 0.84 ESR1 (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL3370638 0.84 ESR1 (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL12164276 0.84 ESR1 (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 US disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 US disclosed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 EP disclosed
US-6881728-B1 14-β, 17-α-hydroxymethylandrostane derivatives as androgens AKZO NOBEL N.V. (NL) 2005-04-19 US disclosed
EP-1163259-B1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL NV (NL) 2002-11-20 EP disclosed
EP-1163259-A1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS Akzo Nobel N.V. (NL) 2001-12-19 EP disclosed
US-6136800-A STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
WO-2000053619-A1 14.BETA., 17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL N.V. (NL) 2000-09-14 WO disclosed
US-6018062-A SUCH AS 17-DIFLUOROMETHYLENE-ESTRA-1,3,5(10)-TRIEN-3-OL; USE AS ANTIOXIDANTS AND VASCULOPROTECTIVE AGENTS AS THEY CAUSE VASODILATOR NITROGEN OXIDE RELEASE AND PREVENT OXIDATION OF LDL CHOLESTEROL SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0712412-B1 15,15-DIALKYL-SUBSTITUTED DERIVATIVES OF ESTRADIOL SCHERING AG (DE) 1999-01-07 EP disclosed
US-5656622-A 15,15-dialkyl-substituted derivatives of estradiol SCHERING AKTIENGESELLSCHAFT (DE) 1997-08-12 US disclosed
US-5587496-A HIGH ESTROGENIC EFFECTIVENESS; CAN BE USED FOR TREATING ESTROGEN DEFICIENCY SYMPTOMS SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-24 US disclosed
WO-1995004070-A1 15,15-DIALKYL-SUBSTITUTED DERIVATIVES OF ESTRADIOL SCHERING AKTIENGESELLSCHAFT (DE) 1995-02-09 WO disclosed