SCHEMBL4728555

SCHEMBL4728555

CCC(Oc1ccc(/C(C)=N\OCc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.41
PPARG P37231 11/20 0.41
PPARD Q03181 3/20 0.41
CDK8 P49336 2/20 0.35
MAPK14 Q16539 3/20 0.34
MAPK12 P53778 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK11 Q15759 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
HCK P08631 1/20 0.33
PTGS2 P35354 1/20 0.33
CCNC P24863 1/20 0.33

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
SCHEMBL4784362 0.85 PPARD (0.56) PPARAPPARGPPARDCDK8MAPK14
SCHEMBL4728557 0.82 CDK8 (0.36) PPARAPPARDCDK8MAPK14MAPK12
SCHEMBL4729317 0.75 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL4726239 0.75 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL4731237 0.73 PPARG (0.73) PPARAPPARGPPARD
SCHEMBL4728590 0.73 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL4726804 0.72 PPARG (0.46) PPARAPPARGPPARD
SCHEMBL4726805 0.72 PPARG (0.46) PPARAPPARGPPARD
SCHEMBL4845938 0.70 SAE1 (0.44) PPARAPPARGPPARD
SCHEMBL4728606 0.70 SAE1 (0.44) PPARAPPARGPPARD

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