SCHEMBL9627672

SCHEMBL9627672

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@]3(O)CC[C@@]12CC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
HSD17B1 P14061 2/20 0.55
MAPT P10636 1/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.54
ESR1 P03372 5/20 0.53
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 7/20 0.44
ABCC4 O15439 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL8938753 0.96 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9628223 0.87 LMNA (0.57) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8959369 0.85 ESR1 (0.53) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL514373 0.85 ESR1 (0.53) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL29500480 0.85 ESR1 (0.53) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056788 0.84 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8056155 0.84 LMNA (0.53) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8959377 0.84 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8959370 0.84 LMNA (0.55) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9148144 0.84 LMNA (0.55) 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-0318490-B1 14,17-G(B)-ETHANO-14-G(B)-ESTRATRIENES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-29 EP claimed
US-4789671-A ESTROGENIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1988-12-06 US claimed
EP-0318490-B1 14,17-G(B)-ETHANO-14-G(B)-ESTRATRIENES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-29 EP disclosed
US-4789671-A ESTROGENIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1988-12-06 US disclosed