SCHEMBL9275243

SCHEMBL9275243

CCCCN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 0.57
HSD17B7 P56937 2/20 0.55
SRD5A2 P31213 2/20 0.55

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
SCHEMBL8939853 0.94 SRD5A1 (0.55) SRD5A1HSD17B7SRD5A2
SCHEMBL5069374 0.86 CYP19A1 (0.53) SRD5A1SRD5A2
SCHEMBL13656758 0.83 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL4265528 0.83 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL4265525 0.83 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL7751282 0.83 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL9022350 0.78 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL9022344 0.78 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8996735 0.73 HSD17B7 (0.70) SRD5A1HSD17B7SRD5A2
SCHEMBL9065994 0.73 HSD17B7 (0.63) SRD5A1HSD17B7SRD5A2

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-0641211-A1 INHIBITORS OF TESTOSTERONE 5$g(a)-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1995-03-08 EP claimed
WO-1993023053-A1 INHIBITORS OF TESTOSTERONE 5α-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1993-11-25 WO claimed