SCHEMBL12635643

SCHEMBL12635643

COc1ccc(CN2C(=O)C(=O)N(c3ccccc3)C2=O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.57
PPARG P37231 6/20 0.57
PPARD Q03181 4/20 0.57
PTGER4 P35408 2/20 0.48
PTGER2 P43116 1/20 0.48
LIPG Q9Y5X9 1/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.45
TP53 P04637 2/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL12634669 0.91 PPARA (0.61) PPARAPPARGPPARDPTGER4PTGER2
SCHEMBL12634663 0.87 PPARA (0.60) PPARAPPARGPPARDPTGER4PTGER2
SCHEMBL12636184 0.87 PPARA (0.59) PPARAPPARGPPARDPTGER4PTGER2
SCHEMBL12636546 0.87 PPARA (0.61) PPARAPPARGPPARDPTGER4PTGER2
SCHEMBL12634655 0.84 PPARA (0.58) PPARAPPARGPPARDPTGER4PTGER2
SCHEMBL12634671 0.83 PPARA (0.55) PPARAPPARGPPARDPTGER4PTGER2
SCHEMBL12634630 0.81 PPARA (0.59) PPARAPPARGPPARDPTGER4PTGER2
SCHEMBL12635645 0.79 PPARA (0.59) PPARAPPARGPPARDLIPGHTT
SCHEMBL12634679 0.77 PPARA (0.53) PPARAPPARGPPARDPTGER4PTGER2
SCHEMBL12635647 0.77 PPARA (0.49) PPARAPPARGPPARDPTGER4PTGER2

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