SCHEMBL8772099

SCHEMBL8772099

COC(=O)OC1=CC23C=C[C@@]1(C1(C)OC(C)O1)[C@@]2(C)CC[C@@H]1c2ccc(OC)cc2CC[C@H]13

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 2/20 0.42
HSD17B1 P14061 2/20 0.42
RECQL P46063 1/20 0.42
ESR1 P03372 5/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 4/20 0.38
PGR P06401 2/20 0.38
SLC6A3 Q01959 2/20 0.38
NR3C1 P04150 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CNR1 P21554 1/20 0.38
STS P08842 3/20 0.37
ADORA3 P0DMS8 2/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL8056159 0.91 LMNA (0.42) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056868 0.83 LMNA (0.45) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8097060 0.78 LMNA (0.44) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8772115 0.76 LMNA (0.46) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8043801 0.74 LMNA (0.43) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8098690 0.72 LMNA (0.46) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL9725173 0.70 ESR1 (0.47) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056176 0.68 ESR1 (0.44) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8043782 0.67 ESR1 (0.46) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056863 0.66 ESR1 (0.49) LMNASMN1; SMN2MAPTHSD17B1RECQL

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
EP-0799238-A2 14ALPHA,17ALPHA-C2-BRIDGED 19-NOR-PROGESTERONE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-08 EP disclosed
WO-1996020209-A2 14α,17α-C2-BRIDGED 19-NOR-PROGESTERONE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed