SCHEMBL8409402

C[C@@H]1C[C@@H]2[C@H]([C@@H](c3ccc(-c4cccnc4)cc3)C[C@]3(C)C(=O)CC[C@@H]23)[C@H]2CCC3(C[C@]12O)OCCO3

nearest known ligand 0.42

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1B1	Q16678	2/20	0.42

▸	PGR	P06401	7/20	0.35

▸	CYP17A1	P05093	9/20	0.35

▸	CYP19A1	P11511	3/20	0.34

▸	CYP21A2	P08686	3/20	0.34

▸	POLB	P06746	1/20	0.33

▸	MAPT	P10636	1/20	0.33

▸	AR	P10275	1/20	0.33

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
SCHEMBL8623060	0.81	CYP17A1 (0.32)	PGRCYP17A1CYP21A2AR
SCHEMBL8407425	0.79	POLB (0.33)	CYP19A1POLBMAPT
SCHEMBL8407083	0.79	CYP19A1 (0.37)	CYP19A1POLBMAPT
SCHEMBL9177699	0.78	CYP1B1 (0.44)	CYP1B1PGRCYP17A1CYP19A1CYP21A2
SCHEMBL9173992	0.78	CYP1B1 (0.44)	CYP1B1PGRCYP17A1CYP19A1CYP21A2
SCHEMBL8409732	0.71	PGR (0.35)	CYP1B1PGRCYP17A1CYP21A2
SCHEMBL8618594	0.71	PGR (0.38)	CYP1B1PGRAR
SCHEMBL8651638	0.70	MAPT (0.39)	PGRCYP19A1POLBMAPTAR
SCHEMBL9174063	0.70	MAPT (0.39)	PGRCYP19A1POLBMAPTAR
SCHEMBL8768139	0.70	MAPT (0.39)	PGRCYP19A1POLBMAPTAR

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-0565553-B1	6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES	SCHERING AG (DE)	1999-07-21	—	—	EP	disclosed
US-5843931-A	6,7-modified 11β-aryl-4-oestrenes	SHERING AKTIENGESELLSCHAFT (DE)	1998-12-01	—	—	US	disclosed