SCHEMBL4340949

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCN1S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	STAT6	P42226	1/20	0.39

▸	CYP51A1	Q16850	8/20	0.38

▸	PYGL	P06737	2/20	0.37

▸	SMYD3	Q9H7B4	1/20	0.37

▸	DRD3	P35462	2/20	0.36

▸	HTRA1	Q92743	1/20	0.35

▸	DRD2	P14416	1/20	0.35

▸	CCR1	P32246	1/20	0.34

▸	ALOX15	P16050	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
SCHEMBL4350448	0.96	STAT6 (0.40)	STAT6CYP51A1PYGLSMYD3DRD3
SCHEMBL4343831	0.94	STAT6 (0.39)	STAT6CYP51A1PYGLSMYD3DRD3
SCHEMBL4341332	0.91	HTRA1 (0.36)	STAT6CYP51A1PYGLSMYD3DRD3
SCHEMBL4350449	0.91	HTRA1 (0.36)	STAT6CYP51A1PYGLSMYD3DRD3
SCHEMBL4338819	0.90	STAT6 (0.40)	STAT6CYP51A1PYGLSMYD3HTRA1
SCHEMBL4341339	0.89	PYGL (0.39)	STAT6CYP51A1PYGLSMYD3DRD3
SCHEMBL4336622	0.87	POLB (0.41)	STAT6CYP51A1PYGLSMYD3DRD3
SCHEMBL4341295	0.87	POLB (0.41)	STAT6CYP51A1PYGLSMYD3DRD3
SCHEMBL19856944	0.86	CYP51A1 (0.38)	STAT6CYP51A1PYGLSMYD3HTRA1
SCHEMBL19856939	0.86	CYP51A1 (0.38)	STAT6CYP51A1PYGLSMYD3HTRA1

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
WO-2009146182-A1	TRPV4 ANTAGONISTS	SMITHKLINE BEECHAM CORPORATION (US)	2009-12-03	—	—	WO	claimed
WO-2009146182-A1	TRPV4 ANTAGONISTS	SMITHKLINE BEECHAM CORPORATION (US)	2009-12-03	—	—	WO	disclosed