SCHEMBL4728557

SCHEMBL4728557

CCC(Oc1ccc(CC=NOCc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.36
PPARA Q07869 2/20 0.35
MAPK14 Q16539 10/20 0.35
MAPK12 P53778 5/20 0.35
MAPK13 O15264 1/20 0.35
MAPK11 Q15759 1/20 0.35
HCK P08631 4/20 0.33
CCNC P24863 1/20 0.33
SRC P12931 1/20 0.33
TNF P01375 1/20 0.33
ITGA4 P13612 1/20 0.33
PPARD Q03181 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
GAA P10253 1/20 0.33
DDR2 Q16832 1/20 0.32

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
SCHEMBL4784365 0.86 CDK8 (0.38) CDK8PPARAMAPK14MAPK12MAPK13
SCHEMBL4728555 0.82 PPARA (0.41) CDK8PPARAMAPK14MAPK12MAPK13
SCHEMBL4726243 0.76 PPARA (0.38) PPARAPPARD
SCHEMBL4728593 0.75 PPARA (0.48) PPARAPPARD
SCHEMBL4731241 0.74 PPARG (0.49) PPARAPPARD
SCHEMBL4729759 0.73 PPARA (0.41) PPARAPPARD
SCHEMBL4728913 0.72 PPARA (0.51) PPARAPPARD
SCHEMBL4728611 0.71 HDAC6 (0.40) PPARA
SCHEMBL4730644 0.70 PPARG (0.53) PPARAPPARD
SCHEMBL4726355 0.69 PPARD (0.66) PPARAPPARD

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