SCHEMBL8043790

SCHEMBL8043790

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C13C=C(COC(C)=O)[C@@]2(C1(C)OCCO1)CC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.44
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RECQL P46063 3/20 0.42
MAPT P10636 2/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PGR P06401 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL8103468 0.89 LMNA (0.45) ESR1LMNASMN1; SMN2RECQLMAPT
SCHEMBL8096546 0.84 LMNA (0.44) ESR1LMNASMN1; SMN2RECQLMAPT
SCHEMBL8043801 0.83 LMNA (0.43) ESR1LMNASMN1; SMN2RECQLMAPT
SCHEMBL8059625 0.75 LMNA (0.48) ESR1LMNASMN1; SMN2RECQLMAPT
SCHEMBL8061512 0.74 LMNA (0.47) ESR1LMNASMN1; SMN2RECQLMAPT
SCHEMBL10647944 0.72 ESR1 (0.42) ESR1LMNASMN1; SMN2RECQLMAPT
SCHEMBL9628187 0.72 ESR1 (0.51) ESR1LMNASMN1; SMN2RECQLMAPT
SCHEMBL9725104 0.72 ESR1 (0.51) ESR1LMNASMN1; SMN2RECQLMAPT
SCHEMBL8105903 0.72 LMNA (0.44) ESR1LMNASMN1; SMN2RECQLMAPT
SCHEMBL8056152 0.72 LMNA (0.51) ESR1LMNASMN1; SMN2RECQLMAPT

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 5 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
EP-0799238-B1 14ALPHA,17ALPHA-C2-BRIDGED 19-NOR-PROGESTERONE DERIVATIVES SCHERING AG (DE) 2000-05-24 EP disclosed
US-5973172-A 14-α,17-α-C2 -bridged norprogesterone derivatives SCHERING AKITENGESELLSCHAFT (DE) 1999-10-26 US disclosed
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