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SCHEMBL6474423

SCHEMBL6474423

Cc1ccc(C(=O)O)cc1-c1c(C)[nH]c(=O)c(Br)c1OCc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ STRADA Q7RTN6 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ PTGER1 P34995 5/20 0.42
▸ PPARA Q07869 1/20 0.41

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
SCHEMBL6472855 0.94 PTGER1 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471345 0.93 MAOB (0.43) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473312 0.92 MAPK14 (0.54) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473202 0.91 MAPK14 (0.49) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6532902 0.91 PTGER1 (0.47) MAPK14MAOBPTGER1
SCHEMBL6471760 0.91 MAPK14 (0.53) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473038 0.90 MAPK14 (0.55) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471398 0.90 MAPK14 (0.49) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471464 0.90 MAPK14 (0.55) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471427 0.90 MAPK14 (0.46) MAPK14PTGER1PPARA

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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 — — WO disclosed