SCHEMBL4726367

SCHEMBL4726367

CCC(Oc1ccc(CCCC=NOCc2ccc(C(F)(F)F)cc2)cc1C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.46
PPARD Q03181 8/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
PPARG P37231 5/20 0.42
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 1/20 0.40
FFAR2 O15552 1/20 0.40
MMP1 P03956 1/20 0.38
PSEN1 P49768 3/20 0.38
ALOX5 P09917 2/20 0.36
PTGES O14684 1/20 0.35

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
SCHEMBL4728593 0.89 PPARA (0.48) PPARAPPARDPTGDR2PPARGFFAR4
SCHEMBL4728567 0.83 PPARD (0.53) PPARAPPARDPPARGFFAR4FFAR1
SCHEMBL4728218 0.81 PPARA (0.47) PPARAPPARDPTGDR2PPARGFFAR4
SCHEMBL4726779 0.80 PPARG (0.48) PPARAPPARGFFAR1PSEN1
SCHEMBL4728590 0.80 PPARA (0.60) PPARAPPARDPTGDR2PPARG
SCHEMBL4727843 0.79 PPARA (0.51) PPARAPPARDPTGDR2PPARGFFAR4
SCHEMBL4729838 0.78 PPARD (0.44) PPARAPPARDPTGDR2PPARGFFAR4
SCHEMBL4728235 0.78 PPARA (0.44) PPARAPPARDPTGDR2PPARGFFAR4
SCHEMBL4726363 0.78 PPARA (0.47) PPARAPPARDPTGDR2PPARG
SCHEMBL4728644 0.77 PPARA (0.45) PPARAPPARDPTGDR2PPARG

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
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed