SCHEMBL8996971

SCHEMBL8996971

CC1CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(Oc4ccc(Cl)cc4)CC[C@H]3[C@H]12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 13/20 0.55
SRD5A2 P31213 9/20 0.55
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD3B1 P14060 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL916826 0.83 SRD5A1 (0.45) SRD5A1SRD5A2
SCHEMBL8002628 0.82 SRD5A1 (0.37) SRD5A1SRD5A2
SCHEMBL8002631 0.82 SRD5A1 (0.37) SRD5A1SRD5A2
SCHEMBL8003663 0.82 SRD5A1 (0.37) SRD5A1SRD5A2
SCHEMBL8003658 0.82 SRD5A1 (0.37) SRD5A1SRD5A2
SCHEMBL8016968 0.81 SRD5A1 (0.58) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL8096297 0.79 SRD5A1 (0.55) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL8096293 0.79 SRD5A1 (0.55) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL4265542 0.79 SRD5A1 (0.66) SRD5A1SRD5A2ABCC4ABCB11LMNA
SCHEMBL4278336 0.79 SRD5A1 (0.66) SRD5A1SRD5A2ABCC4ABCB11LMNA

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-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO disclosed