SCHEMBL8096546

SCHEMBL8096546

COC(=O)C1=CC23CC[C@@]1(C1(C)OCCO1)[C@@]2(C)CC[C@@H]1c2ccc(OC)cc2CC[C@H]13

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.44
HSD17B1 P14061 2/20 0.44
RECQL P46063 1/20 0.44
ESR1 P03372 5/20 0.44
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 3/20 0.40
PGR P06401 2/20 0.40
SLC6A3 Q01959 2/20 0.40
NR3C1 P04150 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
CNR1 P21554 1/20 0.40
ADORA3 P0DMS8 2/20 0.38
ATM Q13315 2/20 0.38
AR P10275 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
SCHEMBL8043801 0.87 LMNA (0.43) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8103468 0.84 LMNA (0.45) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8043790 0.84 ESR1 (0.44) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8097060 0.81 LMNA (0.44) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8059625 0.77 LMNA (0.48) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8061512 0.76 LMNA (0.47) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8105903 0.76 LMNA (0.44) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8098690 0.75 LMNA (0.46) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8043782 0.74 ESR1 (0.46) LMNASMN1; SMN2MAPTHSD17B1RECQL
SCHEMBL8055169 0.74 LMNA (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 2 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