SCHEMBL4728593

SCHEMBL4728593

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.48
PPARD Q03181 8/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
PPARG P37231 6/20 0.42
MMP1 P03956 1/20 0.40
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 1/20 0.38
FFAR2 O15552 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4726367 0.89 PPARA (0.46) PPARAPPARDPTGDR2PPARGMMP1
SCHEMBL4726355 0.87 PPARD (0.66) PPARAPPARDPPARGFFAR1
SCHEMBL16915093 0.85 PPARG (0.50) PPARAPPARDPPARGFFAR1SMN1; SMN2
SCHEMBL4727949 0.82 PPARD (0.59) PPARAPPARDPPARG
SCHEMBL4729759 0.82 PPARA (0.41) PPARAPPARDPPARGMMP1FFAR4
SCHEMBL4728590 0.81 PPARA (0.60) PPARAPPARDPTGDR2PPARG
SCHEMBL4727843 0.80 PPARA (0.51) PPARAPPARDPTGDR2PPARGFFAR4
SCHEMBL4729838 0.79 PPARD (0.44) PPARAPPARDPTGDR2PPARGFFAR4
SCHEMBL4728913 0.79 PPARA (0.51) PPARAPPARDPTGDR2PPARGFFAR4
SCHEMBL4728235 0.79 PPARA (0.44) PPARAPPARDPTGDR2PPARGFFAR4

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