SCHEMBL7993594

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CO)NS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	PYGL	P06737	9/20	0.40

▸	TRPV4	Q9HBA0	1/20	0.39

▸	CYP51A1	Q16850	5/20	0.39

▸	BCAT1	P54687	1/20	0.38

▸	DRD2	P14416	1/20	0.38

▸	EGFR	P00533	1/20	0.37

▸	HTRA1	Q92743	1/20	0.36

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
SCHEMBL4057673	0.88	PYGL (0.39)	PYGLCYP51A1BCAT1DRD2EGFR
SCHEMBL4059459	0.86	PYGL (0.38)	PYGLCYP51A1BCAT1DRD2
SCHEMBL4347129	0.84	PYGL (0.39)	PYGLCYP51A1BCAT1DRD2
SCHEMBL4056168	0.84	ALDH1A1 (0.42)	PYGLCYP51A1BCAT1DRD2
SCHEMBL19856898	0.83	PYGL (0.43)	PYGLCYP51A1DRD2
SCHEMBL19856896	0.83	PYGL (0.43)	PYGLCYP51A1DRD2
SCHEMBL4057362	0.82	PYGL (0.39)	PYGLCYP51A1BCAT1DRD2EGFR
SCHEMBL19856882	0.82	ALOX15 (0.42)	PYGLCYP51A1DRD2
SCHEMBL19856883	0.82	ALOX15 (0.42)	PYGLCYP51A1DRD2
SCHEMBL4051117	0.82	ALOX15 (0.42)	PYGLCYP51A1BCAT1

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