SCHEMBL19856944

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CYP51A1	Q16850	11/20	0.38

▸	PYGL	P06737	3/20	0.37

▸	STAT6	P42226	1/20	0.36

▸	BCAT1	P54687	1/20	0.35

▸	DRD2	P14416	1/20	0.35

▸	ALOX15	P16050	1/20	0.34

▸	HTRA1	Q92743	1/20	0.34

▸	SMYD3	Q9H7B4	1/20	0.34

▸	PYGM	P11217	1/20	0.33

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
SCHEMBL19856939	1.00	CYP51A1 (0.38)	CYP51A1PYGLSTAT6BCAT1DRD2
SCHEMBL4343831	0.92	STAT6 (0.39)	CYP51A1PYGLSTAT6BCAT1DRD2
SCHEMBL4338819	0.90	STAT6 (0.40)	CYP51A1PYGLSTAT6BCAT1DRD2
SCHEMBL19856965	0.89	TDP1 (0.36)	CYP51A1PYGLSTAT6BCAT1DRD2
SCHEMBL19856915	0.89	TDP1 (0.36)	CYP51A1PYGLSTAT6BCAT1DRD2
SCHEMBL4335350	0.89	TDP1 (0.36)	CYP51A1PYGLSTAT6BCAT1DRD2
SCHEMBL4343721	0.89	TDP1 (0.36)	CYP51A1PYGLSTAT6BCAT1DRD2
SCHEMBL4347129	0.89	PYGL (0.39)	CYP51A1PYGLSTAT6BCAT1DRD2
SCHEMBL7999763	0.88	CYP51A1 (0.35)	CYP51A1PYGLSTAT6BCAT1DRD2
SCHEMBL4340949	0.86	STAT6 (0.39)	CYP51A1PYGLSTAT6DRD2ALOX15

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-2925857-B1	USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS	UNIV INDIANA RES & TECH CORP (US)	2018-02-14	—	—	EP	claimed