SCHEMBL13635334

SCHEMBL13635334

Cc1cc(OCc2ccc(F)cc2F)c(C)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.47
MAOB P27338 1/20 0.45
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.43
PTGER1 P34995 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42

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
SCHEMBL4380696 0.87 MAPK14 (0.56) MAPK14
SCHEMBL4376611 0.87 MAPK14 (0.57) MAPK14MAOB
SCHEMBL6472707 0.78 PTGER1 (0.44) MAPK14PTGER1
SCHEMBL6472148 0.78 MAPK14 (0.42) MAPK14PTGER1
SCHEMBL6474781 0.77 ALDH1A1 (0.45) MAPK14PTGER1CYP1A1CYP1A2CYP1B1
SCHEMBL4380236 0.77 MAOB (0.52) MAPK14MAOBIDO1AGXTCYP1A1
SCHEMBL6471254 0.76 MAPK14 (0.44) MAPK14PTGER1
SCHEMBL6472388 0.76 PTGER1 (0.47) MAPK14MAOBPTGER1
SCHEMBL6471879 0.76 PTGER1 (0.47) MAPK14MAOBPTGER1
SCHEMBL6471334 0.76 MAPK14 (0.39) MAPK14PTGER1

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
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed