SCHEMBL8004929

C[C@H](N[S+]([O-])c1cc(Cl)ccc1Cl)C(=O)N1CC2(C)[C@H]1CN2C(=O)[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	SMYD3	Q9H7B4	2/20	0.37

▸	CYP51A1	Q16850	9/20	0.37

▸	PYGL	P06737	4/20	0.37

▸	PYGM	P11217	1/20	0.37

▸	MEN1	O00255	1/20	0.34

▸	KMT2A	Q03164	1/20	0.34

▸	RXFP1	Q9HBX9	1/20	0.34

▸	DRD2	P14416	1/20	0.32

▸	DRD3	P35462	1/20	0.32

▸	IDO1	P14902	2/20	0.32

▸	MLLT1	Q03111	1/20	0.32

▸	ALOX15	P16050	1/20	0.32

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
SCHEMBL8010908	0.81	PYGL (0.39)	SMYD3CYP51A1PYGLPYGMMEN1
SCHEMBL8006223	0.80	PYGL (0.39)	SMYD3CYP51A1PYGLPYGMMEN1
SCHEMBL7995858	0.76	CYP51A1 (0.36)	SMYD3CYP51A1PYGLDRD2DRD3
SCHEMBL7996360	0.75	SMYD3 (0.36)	SMYD3CYP51A1PYGLPYGMMEN1
SCHEMBL8002427	0.73	SMYD3 (0.47)	SMYD3CYP51A1PYGLPYGMMEN1
SCHEMBL7986132	0.73	SMYD3 (0.47)	SMYD3CYP51A1PYGLPYGMMEN1
SCHEMBL8002404	0.72	PYGL (0.37)	SMYD3CYP51A1PYGLMEN1KMT2A
SCHEMBL7997127	0.72	STAT6 (0.36)	SMYD3CYP51A1PYGLPYGMDRD3
SCHEMBL4049959	0.72	SMYD3 (0.41)	SMYD3CYP51A1PYGLPYGMMEN1
SCHEMBL7989864	0.71	PYGL (0.37)	SMYD3CYP51A1PYGLPYGMDRD2

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
WO-2009111680-A1	TRPV4 ANTAGONISTS	SMITHLINE BEECHAM CORPORATION (US)	2009-09-11	—	—	WO	disclosed