SCHEMBL31889

SCHEMBL31889

COc1ccc(CN2CC(=O)N(CCOCc3ccccc3)C2=O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.51
PPARG P37231 6/20 0.51
PPARD Q03181 3/20 0.51
LIPG Q9Y5X9 3/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER4 P35408 2/20 0.43
PTGER2 P43116 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL31954 0.88 PPARA (0.54) PPARAPPARGPPARDLIPGLMNA
SCHEMBL31949 0.86 PPARA (0.55) PPARAPPARGPPARDLIPGLMNA
SCHEMBL31943 0.84 PPARG (0.50) PPARAPPARGPPARDLIPGLMNA
SCHEMBL12634669 0.80 PPARA (0.61) PPARAPPARGPPARDLIPGLMNA
SCHEMBL31880 0.80 PPARD (0.54) PPARAPPARGPPARDLIPGLMNA
SCHEMBL31948 0.79 PPARA (0.58) PPARAPPARGPPARDLIPGLMNA
SCHEMBL12636184 0.76 PPARA (0.59) PPARAPPARGPPARDLIPGLMNA
SCHEMBL12636546 0.76 PPARA (0.61) PPARAPPARGPPARDLIPGLMNA
SCHEMBL12635643 0.76 PPARA (0.57) PPARAPPARGPPARDLIPGLMNA
SCHEMBL12634663 0.74 PPARA (0.60) PPARAPPARGPPARDLIPGLMNA

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