SCHEMBL8772115

SCHEMBL8772115

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C13C=C[C@]2(C(C)=O)C(OC(=O)O)=C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
HSD17B1 P14061 2/20 0.46
RECQL P46063 2/20 0.46
ESR1 P03372 5/20 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
NR3C1 P04150 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ATM Q13315 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CNR1 P21554 1/20 0.41
AR P10275 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
SCHEMBL8056868 0.93 LMNA (0.45) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8098690 0.86 LMNA (0.46) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056159 0.78 LMNA (0.42) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL9725173 0.76 ESR1 (0.47) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8772099 0.76 LMNA (0.42) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8097060 0.74 LMNA (0.44) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056155 0.74 LMNA (0.53) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8055169 0.74 LMNA (0.51) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056152 0.74 LMNA (0.51) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8043788 0.72 LMNA (0.52) 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