SCHEMBL4049959

C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	SMYD3	Q9H7B4	2/20	0.41

▸	CYP51A1	Q16850	5/20	0.40

▸	PYGL	P06737	3/20	0.40

▸	PYGM	P11217	1/20	0.40

▸	LGALS8	O00214	3/20	0.39

▸	BCAT1	P54687	3/20	0.38

▸	MEN1	O00255	1/20	0.37

▸	KMT2A	Q03164	1/20	0.37

▸	RXFP1	Q9HBX9	1/20	0.37

▸	LGALS3	P17931	2/20	0.37

▸	MLLT1	Q03111	1/20	0.35

▸	LGALS1	P09382	1/20	0.35

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
SCHEMBL4052843	0.89	PYGL (0.41)	SMYD3CYP51A1PYGLPYGMLGALS8
SCHEMBL7993594	0.81	PYGL (0.40)	CYP51A1PYGLBCAT1
SCHEMBL4056416	0.81	SMYD3 (0.39)	SMYD3CYP51A1PYGLPYGMLGALS8
SCHEMBL4048476	0.81	PYGL (0.41)	SMYD3CYP51A1PYGLPYGMMEN1
SCHEMBL4059766	0.80	DRD2 (0.37)	SMYD3CYP51A1BCAT1MEN1KMT2A
SCHEMBL4058066	0.79	MMP2 (0.36)	CYP51A1PYGLPYGMBCAT1
SCHEMBL1550160	0.79	FLT3 (0.45)	SMYD3CYP51A1PYGLPYGMMEN1
SCHEMBL1550636	0.79	ALOX15 (0.48)	SMYD3CYP51A1PYGLPYGMLGALS8
SCHEMBL4057673	0.79	PYGL (0.39)	CYP51A1PYGLBCAT1
SCHEMBL4051117	0.79	ALOX15 (0.42)	SMYD3CYP51A1PYGLPYGMLGALS8

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