SCHEMBL4687744

SCHEMBL4687744

CC(C)NC(=O)Nc1ccc(Oc2ccc(NC(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.61
NPY5R Q15761 2/20 0.58
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MMP2 P08253 1/20 0.55
HPGD P15428 3/20 0.55
ALDH1A1 P00352 2/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
PKM P14618 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MEN1 O00255 3/20 0.47

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5152061 0.87 THRA (0.49) MAPK1NPY5RCYP2C9CYP2C19MMP2
SCHEMBL5150162 0.86 MAPK1 (0.51) MAPK1NPY5RCYP2C9CYP2C19MMP2
SCHEMBL4234256 0.86 MAPK1 (0.56) MAPK1NPY5RCYP2C9CYP2C19MMP2
SCHEMBL5151677 0.85 NPY5R (0.48) MAPK1NPY5RCYP2C9CYP2C19MMP2
SCHEMBL5150280 0.84 PNLIP (0.46) MAPK1NPY5RCYP2C9CYP2C19MMP2
SCHEMBL5149654 0.84 PNLIP (0.52) MAPK1NPY5RPKMMEN1KMT2A
SCHEMBL5181103 0.83 CYP2C9 (0.55) MAPK1NPY5RCYP2C9CYP2C19MMP2
SCHEMBL5183364 0.83 MAPK1 (0.50) MAPK1NPY5RCYP2C9CYP2C19MMP2
SCHEMBL13449739 0.82 CA12 (0.70) CYP2C9CYP2C19ALDH1A1CA12CA1
SCHEMBL9813659 0.82 ALDH1A1 (0.60) MAPK1CYP2C9CYP2C19HPGDALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed