SCHEMBL8959370

SCHEMBL8959370

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]13CC[C@]2(O)[C@H](O)C3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
HSD17B10 Q99714 1/20 0.55
ESR1 P03372 6/20 0.51
HSD17B1 P14061 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
PGR P06401 2/20 0.49
SLC6A3 Q01959 2/20 0.49
NR3C1 P04150 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
CNR1 P21554 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ESR2 Q92731 1/20 0.43
ABCC1 P33527 2/20 0.42
ABCC4 O15439 2/20 0.42

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
SCHEMBL9148144 1.00 LMNA (0.55) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL8959377 1.00 LMNA (0.55) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL9144814 0.88 LMNA (0.58) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL8959345 0.88 LMNA (0.58) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL6861299 0.87 STS (0.59) ESR1ESR2ABCC1ABCC4STS
SCHEMBL8214206 0.87 STS (0.59) ESR1ESR2ABCC1ABCC4STS
SCHEMBL8959381 0.87 ESR1 (0.52) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL9146993 0.87 ESR1 (0.52) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL8959365 0.87 ESR1 (0.52) LMNAHSD17B10ESR1HSD17B1SMN1; SMN2
SCHEMBL259537 0.87 ESR1 (0.52) LMNAHSD17B10ESR1HSD17B1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430386-B1 14Alpha, 17alpha bridged 16-hydroxyestratrienes SCHERING AG (DE) 1995-05-03 EP claimed
EP-0430386-A1 14Alpha, 17alpha bridged 16-hydroxyestratrienes SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-05 EP claimed
US-5529993-A UROGENITAL DISORDERS; CONTRACEPTIVES SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0430386-B1 14Alpha, 17alpha bridged 16-hydroxyestratrienes SCHERING AG (DE) 1995-05-03 EP disclosed
EP-0430386-A1 14Alpha, 17alpha bridged 16-hydroxyestratrienes SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-05 EP disclosed