SCHEMBL8900956

SCHEMBL8900956

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.69
HSD17B1 P14061 3/20 0.69
MAPT P10636 2/20 0.69
RECQL P46063 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
STS P08842 6/20 0.54
HSD17B10 Q99714 2/20 0.53
ESR1 P03372 5/20 0.53
KDM4E B2RXH2 2/20 0.53
ESR2 Q92731 2/20 0.53
ABCC4 O15439 1/20 0.53
CYP2C9 P11712 1/20 0.53
ABCC1 P33527 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL4623091 0.89 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11857394 0.89 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11857389 0.89 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL28068491 0.89 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11862021 0.89 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11853537 0.88 LMNA (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL959954 0.82 HSD17B1 (1.00) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL4570835 0.82 HSD17B1 (1.00) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL18658723 0.82 HSD17B1 (1.00) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL15308964 0.82 HSD17B1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656622-A 15,15-dialkyl-substituted derivatives of estradiol SCHERING AKTIENGESELLSCHAFT (DE) 1997-08-12 US disclosed