SCHEMBL8365575

SCHEMBL8365575

COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](C(C)C)CC(=O)[C@@]3(C)CC[C@H]21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.65
▸ HSD17B1 P14061 2/20 0.65
▸ MAPT P10636 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.53
▸ STS P08842 5/20 0.51
▸ ESR1 P03372 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ABCC1 P33527 1/20 0.50
▸ SLCO1B1 Q9Y6L6 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ CYP3A4 P08684 2/20 0.49

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
SCHEMBL220231 0.87 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738492 0.87 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8366649 0.86 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL21276838 0.86 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2760327 0.86 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218799 0.85 HSD17B1 (0.57) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219379 0.85 HSD17B1 (0.57) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738534 0.84 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8370295 0.83 LMNA (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218663 0.83 LMNA (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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