SCHEMBL8931547

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(C)C[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	SRD5A2	P31213	17/20	1.00

▸	SRD5A1	P18405	16/20	1.00

▸	FNTA	P49354	2/20	0.51

▸	FNTB	P49356	2/20	0.51

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
SCHEMBL916887	1.00	SRD5A2 (1.00)	SRD5A2SRD5A1FNTAFNTB
SCHEMBL8587150	0.94	SRD5A1 (0.89)	SRD5A2SRD5A1FNTAFNTB
SCHEMBL8587067	0.91	SRD5A1 (0.83)	SRD5A2SRD5A1FNTAFNTB
SCHEMBL7776508	0.91	SRD5A1 (0.83)	SRD5A2SRD5A1FNTAFNTB
SCHEMBL7384040	0.91	SRD5A1 (0.83)	SRD5A2SRD5A1FNTAFNTB
SCHEMBL7375587	0.89	SRD5A1 (0.79)	SRD5A2SRD5A1FNTAFNTB
SCHEMBL7777965	0.89	SRD5A1 (0.79)	SRD5A2SRD5A1FNTAFNTB
SCHEMBL8588683	0.89	SRD5A1 (0.79)	SRD5A2SRD5A1FNTAFNTB
SCHEMBL8678743	0.87	SRD5A1 (0.77)	SRD5A2SRD5A1FNTAFNTB
SCHEMBL8678268	0.86	SRD5A1 (0.76)	SRD5A2SRD5A1FNTAFNTB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0572165-B1	New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors	MERCK & CO INC (US)	1997-09-17	—	—	EP	disclosed