SCHEMBL9725173

SCHEMBL9725173

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.47
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
HSD17B1 P14061 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 4/20 0.41
PGR P06401 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
NR3C1 P04150 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CHRM1 P11229 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
SCHEMBL9725135 0.77 ESR1 (0.54) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9627471 0.77 ESR1 (0.54) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL8098690 0.76 LMNA (0.46) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL8772115 0.76 LMNA (0.46) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL8938732 0.76 ESR1 (0.49) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL8938730 0.76 ESR1 (0.49) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9628187 0.75 ESR1 (0.51) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9725104 0.75 ESR1 (0.51) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL9283651 0.75 ESR1 (0.47) ESR1LMNASMN1; SMN2MAPTHSD17B1
SCHEMBL8056868 0.75 LMNA (0.45) ESR1LMNASMN1; SMN2MAPTHSD17B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134136-A Estrogenic agents SCHERING AKTIENGESELLSCHAFT (DE) 1992-07-28 US disclosed
WO-1990005139-A1 14α,17α-ETHANO-ESTRATRIENES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-05-17 WO disclosed