SCHEMBL9171269

C[C@]12C[C@H](c3ccc(-c4cccnc4)cc3)[C@H]3[C@@H](CC=C4CC5(CC[C@@H]43)OCCO5)[C@@H]1CC[C@@]2(O)CC#N

nearest known ligand 0.33

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CYP17A1	P05093	8/20	0.33

▸	CYP21A2	P08686	4/20	0.32

▸	PGR	P06401	3/20	0.32

▸	AR	P10275	1/20	0.32

▸	CYP11B1	P15538	2/20	0.31

▸	CYP3A4	P08684	1/20	0.31

▸	CYP11B2	P19099	1/20	0.31

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
SCHEMBL8768951	0.81	PGR (0.31)	CYP17A1CYP21A2PGRARCYP11B1
SCHEMBL9177699	0.79	CYP1B1 (0.44)	CYP17A1CYP21A2PGRARCYP11B1
SCHEMBL9173992	0.79	CYP1B1 (0.44)	CYP17A1CYP21A2PGRARCYP11B1
SCHEMBL8536387	0.78	PGR (0.51)	PGRARCYP3A4
SCHEMBL8639950	0.78	PGR (0.35)	CYP17A1PGRARCYP3A4
SCHEMBL8587938	0.78	PDK1 (0.41)	PGRARCYP3A4
SCHEMBL8537287	0.78	PDK1 (0.41)	PGRARCYP3A4
SCHEMBL8427011	0.74	PGR (0.47)	PGRAR
SCHEMBL5891966	0.72	PGR (0.36)	PGRARCYP3A4
SCHEMBL8410110	0.72	PGR (0.36)	PGRARCYP3A4

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-5405979-A	Stereoselectively reducing phenyl-substituted estradiene with electropositive metal in electron-solvating solvent, cleaving ketone protective group with acid	SCHERING AKTIENGESELLSCHAFT (DE)	1995-04-11	—	—	US	disclosed