SCHEMBL8959384

SCHEMBL8959384

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
HSD17B10 Q99714 1/20 0.53
HSD17B1 P14061 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 2/20 0.49
MAPT P10636 1/20 0.49
ESR1 P03372 6/20 0.48
PGR P06401 2/20 0.48
SLC6A3 Q01959 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
NR3C1 P04150 1/20 0.48
CNR1 P21554 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ABCC1 P33527 2/20 0.41
ABCC4 O15439 2/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL9147068 1.00 LMNA (0.53) LMNAHSD17B10HSD17B1SMN1; SMN2RECQL
SCHEMBL8959344 1.00 LMNA (0.53) LMNAHSD17B10HSD17B1SMN1; SMN2RECQL
SCHEMBL8959363 0.88 SMN1; SMN2 (0.56) LMNAHSD17B10HSD17B1SMN1; SMN2RECQL
SCHEMBL9145265 0.88 SMN1; SMN2 (0.56) LMNAHSD17B10HSD17B1SMN1; SMN2RECQL
SCHEMBL8959354 0.87 ESR1 (0.50) LMNAHSD17B10HSD17B1SMN1; SMN2RECQL
SCHEMBL8959346 0.87 ESR1 (0.50) LMNAHSD17B10HSD17B1SMN1; SMN2RECQL
SCHEMBL9146982 0.87 ESR1 (0.50) LMNAHSD17B10HSD17B1SMN1; SMN2RECQL
SCHEMBL8959391 0.87 ESR1 (0.50) LMNAHSD17B10HSD17B1SMN1; SMN2RECQL
SCHEMBL9628599 0.82 LMNA (0.52) LMNAHSD17B10HSD17B1SMN1; SMN2RECQL
SCHEMBL8959377 0.81 LMNA (0.55) LMNAHSD17B10HSD17B1SMN1; SMN2RECQL

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