SCHEMBL9546430

CO[C@@H]1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]12

nearest known ligand 0.79

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	SRD5A1	P18405	17/20	0.79

▸	SRD5A2	P31213	17/20	0.79

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.

Compound	similarity	top predicted	shared targets
SCHEMBL8931524	1.00	SRD5A1 (0.79)	SRD5A1SRD5A2
SCHEMBL916484	1.00	SRD5A1 (0.79)	SRD5A1SRD5A2
SCHEMBL916483	1.00	SRD5A1 (0.79)	SRD5A1SRD5A2
SCHEMBL9098306	0.92	SRD5A1 (0.78)	SRD5A1SRD5A2
SCHEMBL916691	0.92	SRD5A1 (0.78)	SRD5A1SRD5A2
SCHEMBL916690	0.92	SRD5A1 (0.78)	SRD5A1SRD5A2
SCHEMBL9546398	0.92	SRD5A1 (0.78)	SRD5A1SRD5A2
SCHEMBL8586056	0.90	SRD5A1 (0.75)	SRD5A1SRD5A2
SCHEMBL8931549	0.90	SRD5A1 (0.75)	SRD5A1SRD5A2
SCHEMBL916602	0.90	SRD5A1 (0.75)	SRD5A1SRD5A2

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0572165-A1	New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors	MERCK & CO. INC. (US)	1993-12-01	—	—	EP	claimed
WO-1993023419-A1	NEW 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-ONES AS 5α-REDUCTASE INHIBITORS	MERCK & CO., INC. (US)	1993-11-25	—	—	WO	claimed