SCHEMBL16564584

Cc1ccc(S(=O)(=O)OC[C@@H]2C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3[C@H]3C[C@H]3[C@@]4(O)CCOC(=O)O)[C@H]3CCC(=O)C=C23)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PGR	P06401	12/20	0.46

▸	AR	P10275	11/20	0.46

▸	CYP19A1	P11511	2/20	0.35

▸	NR3C2	P08235	1/20	0.32

▸	LMNA	P02545	1/20	0.31

▸	CYP3A4	P08684	1/20	0.31

▸	CYP2C9	P11712	1/20	0.31

▸	CYP2C19	P33261	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
SCHEMBL3763146	0.91	PGR (0.46)	PGRARCYP19A1NR3C2LMNA
SCHEMBL13372567	0.86	PGR (0.46)	PGRARCYP19A1NR3C2
SCHEMBL923899	0.85	PGR (0.45)	PGRARCYP19A1NR3C2LMNA
SCHEMBL926798	0.85	PGR (0.45)	PGRARCYP19A1NR3C2LMNA
SCHEMBL16564562	0.85	PGR (0.63)	PGRARCYP19A1NR3C2LMNA
SCHEMBL16564430	0.85	PGR (0.63)	PGRARCYP19A1NR3C2LMNA
SCHEMBL16572817	0.81	PGR (0.69)	PGRARCYP19A1NR3C2LMNA
SCHEMBL12998965	0.81	PGR (0.69)	PGRARCYP19A1NR3C2LMNA
SCHEMBL13372601	0.80	PGR (0.39)	PGRARCYP19A1NR3C2LMNA
SCHEMBL982224	0.79	PGR (0.43)	PGRARCYP19A1NR3C2LMNA

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
EP-2238149-B1	19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES	BAYER IP GMBH (DE)	2015-03-18	—	—	EP	disclosed