SCHEMBL31948

SCHEMBL31948

COc1ccc(CN2CC(=O)NC2=O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.58
PPARD Q03181 4/20 0.58
PPARG P37231 2/20 0.58
LIPG Q9Y5X9 2/20 0.49
PTGER4 P35408 2/20 0.49
PTGER2 P43116 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.46
PDE10A Q9Y233 1/20 0.46
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45
CNR2 P34972 2/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL31881 0.90 PTGER4 (0.51) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL31944 0.89 PPARA (0.47) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL31954 0.84 PPARA (0.54) PPARAPPARDPPARGLIPGPTGER4
SCHEMBL31880 0.84 PPARD (0.54) PPARAPPARDPPARGLIPGPTGER4
SCHEMBL12634630 0.83 PPARA (0.59) PPARAPPARDPPARGLIPGPTGER4
SCHEMBL31929 0.82 PDE4A (0.44) PPARAPPARDPPARGLIPGALDH1A1
SCHEMBL31949 0.82 PPARA (0.55) PPARAPPARDPPARGLIPGPTGER4
SCHEMBL31940 0.82 PPARA (0.58) PPARAPPARDPPARGLIPGPTGER4
SCHEMBL31932 0.82 PDE4A (0.44) PPARAPPARDPPARGLIPGALDH1A1
SCHEMBL31970 0.81 PDE4A (0.43) PPARAPPARDPPARGLIPGKMT2A

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-2012026495-A1 NOVEL HYDANTOIN DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2012-03-01 WO disclosed