SCHEMBL8407082

C[C@@H]1C[C@@H]2[C@H]([C@@H](c3ccc(-c4cccnc4)cc3)C[C@@]3(C)[C@H]2CC[C@@]3(O)/C=C\CO)[C@H]2CCC(=O)C=C12

nearest known ligand 0.42

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	PGR	P06401	11/20	0.42

▸	CYP17A1	P05093	6/20	0.39

▸	NR3C1	P04150	5/20	0.35

▸	AR	P10275	4/20	0.35

▸	CYP21A2	P08686	1/20	0.34

▸	CYP19A1	P11511	1/20	0.34

▸	CYP3A4	P08684	1/20	0.34

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
SCHEMBL8407055	1.00	PGR (0.42)	PGRCYP17A1NR3C1ARCYP21A2
SCHEMBL8407038	0.93	PGR (0.36)	PGRCYP17A1NR3C1ARCYP3A4
SCHEMBL8409808	0.93	PGR (0.36)	PGRCYP17A1NR3C1ARCYP3A4
SCHEMBL8538113	0.88	PGR (0.47)	PGRNR3C1ARCYP3A4
SCHEMBL8407400	0.86	PGR (0.36)	PGRNR3C1ARCYP3A4
SCHEMBL8409853	0.86	PGR (0.36)	PGRNR3C1ARCYP3A4
SCHEMBL8410097	0.86	PGR (0.37)	PGRNR3C1ARCYP3A4
SCHEMBL8410075	0.86	PGR (0.37)	PGRNR3C1ARCYP3A4
SCHEMBL8409312	0.86	PGR (0.35)	PGRNR3C1ARCYP3A4
SCHEMBL8408890	0.86	PGR (0.35)	PGRNR3C1ARCYP3A4

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 3 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$g(b)-ARYL-4-ESTRENES	SCHERING AG (DE)	1999-07-21	—	—	EP	claimed
EP-0565553-B1	6,7-MODIFIED 11$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