SCHEMBL8927022

COC(=O)C(O[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	SRD5A1	P18405	5/20	0.51

▸	CYP2C19	P33261	1/20	0.41

▸	SRD5A2	P31213	5/20	0.38

▸	PTPN1	P18031	1/20	0.36

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
SCHEMBL9546880	0.80	SRD5A1 (0.56)	SRD5A1CYP2C19SRD5A2
SCHEMBL9546879	0.80	SRD5A1 (0.56)	SRD5A1CYP2C19SRD5A2
SCHEMBL9546870	0.79	SRD5A1 (0.56)	SRD5A1CYP2C19SRD5A2
SCHEMBL9546868	0.79	SRD5A1 (0.56)	SRD5A1CYP2C19SRD5A2
SCHEMBL4012144	0.76	SRD5A1 (0.61)	SRD5A1SRD5A2
SCHEMBL14214561	0.76	SRD5A1 (0.61)	SRD5A1SRD5A2
SCHEMBL14184971	0.76	SRD5A1 (0.61)	SRD5A1SRD5A2
SCHEMBL4012146	0.76	SRD5A1 (0.61)	SRD5A1SRD5A2
SCHEMBL7713354	0.73	SRD5A1 (0.51)	SRD5A1CYP2C19SRD5A2
SCHEMBL7713357	0.73	SRD5A1 (0.51)	SRD5A1CYP2C19SRD5A2

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
US-5693809-A	PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER	MERCK & CO., INC. (US)	1997-12-02	—	—	US	disclosed