SCHEMBL4730612

SCHEMBL4730612

CCC(Oc1ccc(/C(Cc2ccc(Cl)cc2)=N/OCc2ccc(C(F)(F)F)cc2)cc1C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.45
PPARG P37231 13/20 0.45
PPARD Q03181 6/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.42
S1PR1 P21453 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP4X1 Q8N118 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL4728640 1.00 PPARA (0.45) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4728644 0.96 PPARA (0.45) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4728550 0.93 PPARA (0.49) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4727840 0.93 PPARA (0.49) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4780316 0.92 PPARA (0.44) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4727843 0.88 PPARA (0.51) PPARAPPARGPPARDPTGDR2
SCHEMBL4726363 0.88 PPARA (0.47) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4726348 0.88 PPARA (0.45) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4728590 0.85 PPARA (0.60) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4730648 0.84 PPARD (0.59) PPARAPPARGPPARDPTGDR2

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