SCHEMBL8772107

SCHEMBL8772107

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C13CC[C@]2(C(C)=O)C(C)C3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
HSD17B1 P14061 2/20 0.50
RECQL P46063 1/20 0.50
ESR1 P03372 4/20 0.49
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 3/20 0.44
PGR P06401 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
NR3C1 P04150 1/20 0.44
CNR1 P21554 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL8056157 1.00 LMNA (0.50) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056155 0.84 LMNA (0.53) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8772104 0.82 LMNA (0.47) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056164 0.82 LMNA (0.47) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL9627471 0.81 ESR1 (0.54) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL9725135 0.81 ESR1 (0.54) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056177 0.81 LMNA (0.46) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8043788 0.80 LMNA (0.52) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8959370 0.80 LMNA (0.55) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8959377 0.80 LMNA (0.55) 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