SCHEMBL2637589

SCHEMBL2637589

COc1[c]cc2c(c1)[C@H]1CC[C@]3(C)C(F)CCC[C@H]3[C@@H]1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
GMNN O75496 1/20 0.45
SHBG P04278 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL3385066 0.94 HSD17B10 (0.48) CYP19A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL4648214 0.89 CYP19A1 (0.45) CYP19A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL2638387 0.88 HSD17B10 (0.57) CYP19A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL4649339 0.88 LMNA (0.47) CYP19A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL4650084 0.88 HSD17B10 (0.42) CYP19A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL4648936 0.88 CYP19A1 (0.42) CYP19A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL4649266 0.86 HSD17B10 (0.43) CYP19A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL4648301 0.85 MEN1 (0.45) CYP19A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL2639592 0.85 HSD17B1 (0.37) CYP19A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL3381378 0.84 HSD17B10 (0.49) CYP19A1HSD17B10LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4718439-B2 2011-07-06 JP claimed
EP-1594886-A1 ANTITUMORAL D-HOMOESTRA-1, 3, 5 (10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES Schering Aktiengesellschaft (DE) 2005-11-16 EP claimed
WO-2004074309-A1 ANTITUMORAL D-HOMOESTRA-1, 3, 5 (10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-02 WO claimed
EP-1594886-B1 ANTITUMORAL D-HOMOESTRA-1, 3, 5 (10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES STERIX LTD (GB) 2008-08-27 EP disclosed
EP-1594886-A1 ANTITUMORAL D-HOMOESTRA-1, 3, 5 (10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES Schering Aktiengesellschaft (DE) 2005-11-16 EP disclosed
WO-2004074309-A1 ANTITUMORAL D-HOMOESTRA-1, 3, 5 (10)-TRIEN-3-YL 2-SUBSTITUTED SULFAMATES SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-02 WO disclosed