SCHEMBL16348346

SCHEMBL16348346

Cc1coc(-c2cc(C(F)(F)F)ccc2OC(C(=O)O)c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 2/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.41
KDM4E B2RXH2 1/20 0.40
NTRK1 P04629 1/20 0.40
ABCB11 O95342 1/20 0.39
PDE4B Q07343 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL16348403 0.84 PPARA (0.54) KEAP1NFE2L2PPARGPPARAPTGDR2
SCHEMBL13522853 0.80 PPARG (0.43) KEAP1NFE2L2PPARGPPARAPTGDR2
SCHEMBL13522832 0.80 PPARG (0.43) KEAP1NFE2L2PPARGPPARAPTGDR2
SCHEMBL13522855 0.80 PPARG (0.43) KEAP1NFE2L2PPARGPPARAPTGDR2
SCHEMBL13522830 0.77 P2RY14 (0.43) KEAP1NFE2L2PPARGPPARAKDM4E
SCHEMBL13522860 0.75 P2RY14 (0.42) KEAP1NFE2L2PPARGPPARAPTGDR2
SCHEMBL13522827 0.75 P2RY14 (0.42) KEAP1NFE2L2PPARGPPARAPTGDR2
SCHEMBL13522840 0.74 MAPT (0.43) PPARGPTGDR2KDM4E
SCHEMBL13522833 0.74 PPARG (0.52) PPARGPPARAPTGDR2
SCHEMBL13523039 0.74 THRB (0.43) PPARGPPARAKDM4E

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed