SCHEMBL8959345

SCHEMBL8959345

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ESR1 P03372 3/20 0.58
ADORA3 P0DMS8 2/20 0.58
ATM Q13315 2/20 0.58
PGR P06401 1/20 0.58
AR P10275 1/20 0.58
CHRM1 P11229 1/20 0.58
TBXA2R P21731 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRM1 P35372 1/20 0.58
SLC6A3 Q01959 1/20 0.58
CYP3A4 P08684 3/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
AKR1C3 P42330 1/20 0.46
KMT2A Q03164 2/20 0.45
NR3C1 P04150 1/20 0.45
SHBG P04278 1/20 0.45
FYN P06241 1/20 0.45

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
SCHEMBL9144814 1.00 LMNA (0.58) LMNASMN1; SMN2ESR1ADORA3ATM
SCHEMBL8959387 0.90 SMN1; SMN2 (0.58) LMNASMN1; SMN2ESR1ADORA3ATM
SCHEMBL8959370 0.88 LMNA (0.55) LMNASMN1; SMN2ESR1ADORA3ATM
SCHEMBL9148144 0.88 LMNA (0.55) LMNASMN1; SMN2ESR1ADORA3ATM
SCHEMBL8959377 0.88 LMNA (0.55) LMNASMN1; SMN2ESR1ADORA3ATM
SCHEMBL9628223 0.86 LMNA (0.57) LMNASMN1; SMN2ESR1ADORA3ATM
SCHEMBL6861299 0.85 STS (0.59) ESR1ABCC1ABCC4STSKDM4E
SCHEMBL8214206 0.85 STS (0.59) ESR1ABCC1ABCC4STSKDM4E
SCHEMBL8959381 0.83 ESR1 (0.52) LMNASMN1; SMN2ESR1ADORA3PGR
SCHEMBL9146993 0.83 ESR1 (0.52) LMNASMN1; SMN2ESR1ADORA3PGR

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