SCHEMBL6532902

SCHEMBL6532902

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1-c1cc(C(=O)O)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.47
MAPK14 Q16539 11/20 0.44
MAOB P27338 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
SCHEMBL6471916 0.93 PTGER1 (0.45) PTGER1MAPK14MAOB
SCHEMBL6472855 0.92 PTGER1 (0.44) PTGER1MAPK14MAOB
SCHEMBL6471738 0.91 MAPK14 (0.47) PTGER1MAPK14MAOB
SCHEMBL6474423 0.91 MAPK14 (0.44) PTGER1MAPK14MAOB
SCHEMBL6471345 0.91 MAOB (0.43) PTGER1MAPK14MAOB
SCHEMBL6471427 0.89 MAPK14 (0.46) PTGER1MAPK14
SCHEMBL6472799 0.86 MAOB (0.44) PTGER1MAPK14MAOB
SCHEMBL6471261 0.86 PTGER1 (0.42) PTGER1MAPK14MAOB
SCHEMBL6472384 0.85 PTGER1 (0.44) PTGER1MAPK14MAOB
SCHEMBL6471060 0.84 PTGER1 (0.48) PTGER1MAPK14MAOB

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