SCHEMBL8407111

CSc1ccc(-c2ccc([C@H]3C[C@@]4(C)[C@@H](CC[C@@]4(O)CC#N)[C@@H]4C=CC5=CC(=O)CC[C@@H]5[C@H]43)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NR3C1	P04150	14/20	0.38

▸	PGR	P06401	13/20	0.37

▸	AR	P10275	11/20	0.37

▸	NR3C2	P08235	3/20	0.37

▸	CYP3A4	P08684	1/20	0.33

▸	TDP1	Q9NUW8	2/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	PDE4D	Q08499	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
SCHEMBL8407122	0.89	PGR (0.40)	NR3C1PGRARNR3C2CYP3A4
SCHEMBL8410185	0.86	PGR (0.40)	NR3C1PGRARNR3C2CYP3A4
SCHEMBL8407402	0.85	NR3C1 (0.54)	NR3C1PGRARNR3C2CYP3A4
SCHEMBL8618678	0.85	NR3C1 (0.45)	NR3C1PGRARNR3C2CYP3A4
SCHEMBL8409910	0.84	PGR (0.37)	NR3C1PGRARNR3C2CYP3A4
SCHEMBL8407053	0.83	NR3C1 (0.36)	NR3C1PGRARNR3C2CYP3A4
SCHEMBL8409857	0.82	NR3C1 (0.38)	NR3C1PGRARNR3C2CYP3A4
SCHEMBL8408969	0.77	NR3C1 (0.48)	NR3C1PGRARNR3C2CYP3A4
SCHEMBL8407284	0.77	NR3C1 (0.41)	NR3C1PGRARNR3C2CYP3A4
SCHEMBL8410268	0.76	PGR (0.35)	NR3C1PGRARNR3C2CYP3A4

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