SCHEMBL31946

SCHEMBL31946

COC(=O)CNCc1cc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.58
PPARD Q03181 6/20 0.58
PPARA Q07869 6/20 0.58
CYP3A4 P08684 1/20 0.51
MAPK14 Q16539 1/20 0.51
PTGER4 P35408 2/20 0.51
PTGER2 P43116 1/20 0.51
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL31930 0.81 MAPT (0.55) PPARGPPARDPPARACYP3A4MAPK14
SCHEMBL3945781 0.74 PPARA (1.00) PPARGPPARDPPARA
SCHEMBL12636437 0.74 PPARD (0.50) PPARGPPARDPPARAALDH1A1L3MBTL1
SCHEMBL31861 0.73 PPARD (0.64) PPARGPPARDPPARAPTGER4PTGER2
SCHEMBL2891362 0.72 CA12 (0.54) ALDH1A1HPGD
SCHEMBL12635851 0.72 HDAC3 (0.54) PPARGPPARDPPARAALDH1A1HPGD
SCHEMBL12634647 0.72 PPARD (0.60) PPARGPPARDPPARACYP3A4MAPK14
SCHEMBL17512413 0.72 KMT2A (0.60) PPARGPPARDPPARAMAPTALDH1A1
SCHEMBL184222 0.72 MAPK14 (0.58) PPARGPPARDPPARACYP3A4MAPK14
SCHEMBL4451065 0.70 PTGER4 (0.79) PPARGPPARDPPARACYP3A4MAPK14

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