SCHEMBL5282125

SCHEMBL5282125

Cc1ccc(C(=O)NC2CCC2)cc1-n1ccc2ccc(O)cc2c1=O.Cc1ccc(C(=O)O)cc1-n1ccc2ccc(O)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.53
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL1399792 0.97 MAPK14 (0.56) MAPK14CYP3A4CYP2C9
SCHEMBL1399813 0.93 MAPK14 (0.60) MAPK14
SCHEMBL5282130 0.89 MAPK14 (0.48) MAPK14CYP3A4CYP2C9
SCHEMBL1399902 0.87 GAA (0.44) MAPK14CYP2C9
SCHEMBL1399718 0.82 MAPK14 (0.59) MAPK14
SCHEMBL1399883 0.81 MAPK14 (0.62) MAPK14
SCHEMBL1399809 0.81 MAPK14 (0.60) MAPK14
SCHEMBL1399884 0.79 MAPK14 (0.48) MAPK14
SCHEMBL1399977 0.79 CNR2 (0.41) MAPK14
SCHEMBL1399996 0.78 MAPK14 (0.56) MAPK14CYP3A4CYP2C9

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831174-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006067444-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed