SCHEMBL27779348

SCHEMBL27779348

O=C(O)c1cccc(Cn2ccc(OCc3ccc(F)cc3F)c(Cl)c2=O)c1CF

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.50
PTGER1 P34995 4/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
CLCN2 P51788 1/20 0.40
HPD P32754 1/20 0.40

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
SCHEMBL4376565 0.84 MAPK14 (0.54) MAPK14PTGER1
SCHEMBL4376528 0.82 MAPK14 (0.50) MAPK14MRGPRX4
SCHEMBL27602872 0.80 MAPK14 (0.52) MAPK14PTGER1
SCHEMBL4381707 0.79 MAPK14 (0.77) MAPK14
SCHEMBL4375353 0.76 MAPK14 (0.60) MAPK14
SCHEMBL4376977 0.76 MAPK14 (0.61) MAPK14PTGER1
Trifluoroacetic Acid SCHEMBL4467108 0.75 MAPK14 (0.45) MAPK14PTGER1
SCHEMBL4387214 0.75 MAPK14 (0.50) MAPK14PTGER1
SCHEMBL4379524 0.74 MAPK14 (0.56) MAPK14
SCHEMBL4473241 0.74 MAPK14 (0.45) MAPK14

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
CN-101531631-B Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP 2011-09-28 CN disclosed
CN-101531631-A Substituted pyridinones as modulators of p38 map kinase PHARMACIA CORP (US) 2009-09-16 CN disclosed