SCHEMBL4728230

SCHEMBL4728230

CCC(Oc1ccc(C(CC2CCCCC2)=NOCc2ccc(C(F)(F)F)cc2)cc1C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.44
PPARG P37231 8/20 0.43
PPARD Q03181 7/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
S1PR1 P21453 7/20 0.38
S1PR3 Q99500 6/20 0.38
ALOX5 P09917 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL4730161 1.00 PPARA (0.44) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4729835 0.99 PPARA (0.43) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4727337 0.87 PPARA (0.57) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4727340 0.87 PPARA (0.57) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4726363 0.86 PPARA (0.47) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4726699 0.85 PPARD (0.58) PPARAPPARGPPARDPTGDR2
SCHEMBL4726697 0.85 PPARD (0.58) PPARAPPARGPPARDPTGDR2
SCHEMBL4727840 0.84 PPARA (0.49) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4728550 0.84 PPARA (0.49) PPARAPPARGPPARDPTGDR2S1PR1
SCHEMBL4730226 0.84 PPARD (0.57) 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 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