SCHEMBL8096819

SCHEMBL8096819

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
HSD17B1 P14061 2/20 0.46
RECQL P46063 1/20 0.46
ESR1 P03372 4/20 0.46
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 3/20 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 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL8056863 0.86 ESR1 (0.49) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8105903 0.84 LMNA (0.44) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8061557 0.82 LMNA (0.43) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8056152 0.79 LMNA (0.51) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8055169 0.79 LMNA (0.51) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8959384 0.76 LMNA (0.53) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL9147068 0.76 LMNA (0.53) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8959344 0.76 LMNA (0.53) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL9628187 0.76 ESR1 (0.51) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL9725104 0.76 ESR1 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6147065-A 14-α, 17-α-C2 bridged norprogesterone derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-14 US disclosed
US-5973172-A 14-α,17-α-C2 -bridged norprogesterone derivatives SCHERING AKITENGESELLSCHAFT (DE) 1999-10-26 US disclosed
US-5827842-A 14α, 17α-C2 -bridged norprogesterone derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-27 US disclosed