SCHEMBL31930

SCHEMBL31930

COc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1C=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
PPARG P37231 2/20 0.55
PPARD Q03181 2/20 0.55
PPARA Q07869 2/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK14 Q16539 1/20 0.55
PTGER4 P35408 2/20 0.54
PTGER2 P43116 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
ERN1 O75460 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49

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
SCHEMBL31946 0.81 PPARG (0.58) MAPTPPARGPPARDPPARACYP3A4
SCHEMBL31861 0.80 PPARD (0.64) PPARGPPARDPPARAPTGER4PTGER2
SCHEMBL9049946 0.77 NFE2L2 (0.55) MAPTCYP3A4ERN1
SCHEMBL12636541 0.76 LIPG (0.52) MAPTPPARGPPARDPPARACYP3A4
SCHEMBL184222 0.75 MAPK14 (0.58) MAPTPPARGPPARDPPARACYP3A4
SCHEMBL25688773 0.74 CYP1A2 (0.53) MAPTCYP3A4ERN1L3MBTL1
SCHEMBL4451065 0.73 PTGER4 (0.79) MAPTPPARGPPARDPPARACYP3A4
SCHEMBL5334043 0.73 CYP1A2 (0.65) PPARDPPARACYP3A4NR1H4L3MBTL1
SCHEMBL3031645 0.73 MAPT (0.58) MAPTPPARGCYP3A4MAPK14NR1H4
SCHEMBL17512413 0.72 KMT2A (0.60) MAPTPPARGPPARDPPARANR1H4

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