SCHEMBL8959334

SCHEMBL8959334

CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]13CC[C@@]2(OC(C)=O)[C@H](OC(C)=O)C3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
CYP3A4 P08684 3/20 0.57
MAPT P10636 3/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 4/20 0.49
ESR1 P03372 3/20 0.49
ADORA3 P0DMS8 2/20 0.49
ATM Q13315 2/20 0.49
PGR P06401 1/20 0.49
AR P10275 1/20 0.49
CHRM1 P11229 1/20 0.49
TBXA2R P21731 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
SLC6A3 Q01959 1/20 0.49
AKR1C3 P42330 2/20 0.47
KMT2A Q03164 3/20 0.44
RECQL P46063 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL8959380 1.00 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL8959382 0.93 ESR1 (0.57) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL8959387 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL9627957 0.83 LMNA (0.56) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL9144814 0.81 LMNA (0.58) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL8959345 0.81 LMNA (0.58) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL8959357 0.80 ESR1 (0.48) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL8959396 0.80 ESR1 (0.48) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL9725124 0.80 ESR1 (0.48) SMN1; SMN2CYP3A4MAPTTP53LMNA
SCHEMBL9628223 0.80 LMNA (0.57) SMN1; SMN2CYP3A4MAPTTP53LMNA

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