SCHEMBL4728216

SCHEMBL4728216

CCC/C(=N/O)c1ccc(OC(CC)C(=O)O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
PPARG P37231 2/20 0.42
KDM4E B2RXH2 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
TAS1R3 Q7RTX0 6/20 0.38
TAS1R1 Q7RTX1 6/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARD Q03181 2/20 0.37
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4729729 0.85 PPARA (0.50) PPARASMN1; SMN2PPARGKDM4EPTGDR2
SCHEMBL4731335 0.83 SMN1; SMN2 (0.55) PPARASMN1; SMN2PPARG
SCHEMBL4728544 0.83 PPARA (0.52) PPARASMN1; SMN2PPARGKDM4EPTGDR2
SCHEMBL4728545 0.83 PPARA (0.52) PPARASMN1; SMN2PPARGKDM4EPTGDR2
SCHEMBL4730561 0.82 PPARA (0.53) PPARASMN1; SMN2PPARGPTGDR2TAS1R3
SCHEMBL4729125 0.82 PPARA (0.45) PPARASMN1; SMN2PPARGKDM4EPTGDR2
SCHEMBL4727866 0.82 PPARA (0.53) PPARASMN1; SMN2PPARGPTGDR2TAS1R3
SCHEMBL4727820 0.82 PPARA (0.45) PPARASMN1; SMN2PPARGKDM4EPTGDR2
SCHEMBL4728116 0.81 PPARA (0.54) PPARASMN1; SMN2PPARGPTGDR2
SCHEMBL5861893 0.80 PPARA (0.57) PPARASMN1; SMN2PPARGPTGDR2TAS1R3

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