SCHEMBL11096095

SCHEMBL11096095

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
HSD17B10 Q99714 5/20 0.66
KDM4E B2RXH2 1/20 0.53
ESR1 P03372 10/20 0.52
ESR2 Q92731 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
PGR P06401 2/20 0.51
AR P10275 2/20 0.51
SLC6A3 Q01959 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
ATM Q13315 2/20 0.51
ABCC1 P33527 1/20 0.51
ABCC4 O15439 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
STS P08842 2/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 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
SCHEMBL10522508 0.90 HSD17B10 (0.67) LMNAHSD17B10KDM4EESR1ESR2
SCHEMBL10523747 0.90 HSD17B10 (0.67) LMNAHSD17B10KDM4EESR1ESR2
SCHEMBL6462853 0.86 LMNA (0.62) LMNAHSD17B10KDM4EESR1ESR2
SCHEMBL11100019 0.85 ESR1 (0.67) LMNAHSD17B10KDM4EESR1ESR2
SCHEMBL11100027 0.85 ESR1 (0.67) LMNAHSD17B10KDM4EESR1ESR2
SCHEMBL14569767 0.85 ESR1 (0.67) LMNAHSD17B10KDM4EESR1ESR2
SCHEMBL13930477 0.85 ESR1 (0.67) LMNAHSD17B10KDM4EESR1ESR2
SCHEMBL11740371 0.83 ESR1 (0.47) LMNAHSD17B10KDM4EESR1ESR2
SCHEMBL11741232 0.82 HSD11B1 (0.48) LMNAHSD17B10KDM4EESR1ESR2
SCHEMBL5189486 0.82 LMNA (0.49) LMNAHSD17B10KDM4EESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044105-B1 NEW 8-ALPHA-OESTRA-1,3,5(10)-TRIENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS AKZO N.V. (NL) 1984-10-03 EP disclosed
US-4407753-A 8α-Oestra-1,3,5(10)-triene derivatives, processes for their preparation and pharmaceutical compositions AKZO N.V. (NL) 1983-10-04 US disclosed