SCHEMBL3885405

SCHEMBL3885405

Cc1ccc(CCOc2c(-c3ccc4ccccc4c3)cc(CCC(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.46
FFAR4 Q5NUL3 8/20 0.46
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL3882264 0.92 THRA (0.51) FFAR1FFAR4THRATHRB
SCHEMBL3887919 0.91 CCNC (0.44) FFAR1FFAR4CCNCCDK8PTGES
SCHEMBL3994447 0.90 PTGES (0.43) FFAR1FFAR4CCNCCDK8PTGES
SCHEMBL3885728 0.89 FFAR1 (0.48) FFAR1FFAR4CCNCCDK8PTGES
SCHEMBL3884001 0.88 PPARG (0.37) FFAR1
SCHEMBL3882034 0.86 THRA (0.49) FFAR1FFAR4THRATHRBCCNC
SCHEMBL27627098 0.86 CCNC (0.46) CCNCCDK8ALOX5
SCHEMBL3482820 0.85 FFAR1 (0.49) FFAR1FFAR4THRATHRBCCNC
SCHEMBL3895497 0.84 FFAR4 (0.46) FFAR1FFAR4CCNCCDK8PTGES
SCHEMBL3682322 0.84 FFAR4 (0.47) FFAR1FFAR4CCNCCDK8PTGES

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-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed