SCHEMBL4814686

SCHEMBL4814686

Cc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1.Cc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.69
HSPB1 P04792 1/20 0.61
EPHA3 P29320 1/20 0.59
FRK P42685 1/20 0.59

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
SCHEMBL4818740 0.96 MAPK14 (0.74) MAPK14HSPB1EPHA3FRK
SCHEMBL4820912 0.91 MAPK14 (0.66) MAPK14HSPB1EPHA3FRK
SCHEMBL2347126 0.86 CYP17A1 (0.47) MAPK14
SCHEMBL5464147 0.82 MAPK14 (0.73) MAPK14HSPB1EPHA3FRK
SCHEMBL4815165 0.82 MAPK14 (1.00) MAPK14HSPB1
SCHEMBL4820829 0.82 MAPK14 (1.00) MAPK14HSPB1
SCHEMBL5629868 0.81 MAPK14 (0.88) MAPK14HSPB1
SCHEMBL4819879 0.81 MAPK14 (1.00) MAPK14HSPB1
SCHEMBL4822293 0.81 CYP17A1 (0.43) MAPK14
SCHEMBL4822093 0.80 MAPK14 (0.77) MAPK14HSPB1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432289-B2 5-Acylamino-1,1′-biphenyl-4-carboxamide derivatives and their use as P38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2008-10-07 US disclosed