SCHEMBL12635902

SCHEMBL12635902

COc1ccc(CN2C(=O)NC(=O)C2=O)cc1C(=O)NCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.58
PPARG P37231 6/20 0.58
HPGD P15428 3/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
BRD4 O60885 1/20 0.50
HTT P42858 2/20 0.47
PPARD Q03181 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.46
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL12635636 0.94 PPARA (0.53) PPARAPPARGHPGDTP53GLA
SCHEMBL12635899 0.92 PPARA (0.58) PPARAPPARGHPGDTP53GLA
SCHEMBL12635637 0.92 PPARA (0.62) PPARAPPARGHPGDTP53GLA
SCHEMBL12635645 0.90 PPARA (0.59) PPARAPPARGHPGDTP53GLA
SCHEMBL12636580 0.90 PPARA (0.61) PPARAPPARGHPGDTP53GLA
SCHEMBL12635630 0.86 PPARA (0.52) PPARAPPARGHTTPPARDMEN1
SCHEMBL12635895 0.85 PPARA (0.51) PPARAPPARGHPGDHTTPPARD
SCHEMBL12636568 0.85 PTGER4 (0.52) PPARAPPARGPPARD
SCHEMBL12635647 0.85 PPARA (0.49) PPARAPPARGHPGDTP53GLA
SCHEMBL12634696 0.84 PPARA (0.49) PPARAPPARGHTTPPARDPDE10A

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-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed