SCHEMBL3883758

SCHEMBL3883758

CC(Cc1cc(F)c(OCC2CCCC2)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
FFAR4 Q5NUL3 4/20 0.39
FEN1 P39748 2/20 0.36
APP P05067 2/20 0.35
FASN P49327 1/20 0.35
MTOR P42345 1/20 0.35
CHRNA7 P36544 2/20 0.34
KCNH2 Q12809 1/20 0.34
MCL1 Q07820 1/20 0.34
MAP3K11 Q16584 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL3897348 0.90 PTGS2 (0.41) PTGS2APPMTORKCNH2MCL1
SCHEMBL3891613 0.90 APP (0.42) PTGS2APPMTORMCL1MAP3K11
SCHEMBL3893664 0.87 PTGS2 (0.39) PTGS2APPMTORMCL1MAP3K11
SCHEMBL3675185 0.86 THRA (0.49) FFAR4MTORTHRATHRB
SCHEMBL3884668 0.86 PTGS2 (0.42) PTGS2MTORCHRNA7MAP3K11ENPP2
SCHEMBL3677105 0.83 THRA (0.38) PTGS2FFAR4FEN1FASNMTOR
SCHEMBL3882901 0.80 PTGS2 (0.43) PTGS2APPCHRNA7MCL1MAP3K11
SCHEMBL3882575 0.79 PTGS2 (0.43) PTGS2APPCHRNA7MCL1MAP3K11
SCHEMBL3883008 0.79 PTGS2 (0.41) PTGS2MTORCHRNA7MAP3K11ENPP2
SCHEMBL3884976 0.79 PPARG (0.40) FFAR4MTOR

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