SCHEMBL31763

SCHEMBL31763

CCOOCc1ccc(Oc2ccc(CNC(=O)c3cc(CN4CC(=O)N(C5CC5)C4=O)ccc3OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.45
PPARG P37231 8/20 0.45
PPARD Q03181 5/20 0.45
PDE10A Q9Y233 3/20 0.39
DRD2 P14416 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL31880 0.89 PPARD (0.54) PPARAPPARGPPARDPDE10ALIPG
SCHEMBL31942 0.88 PTGER4 (0.47) PPARAPPARGPPARDHDAC6
SCHEMBL12634671 0.75 PPARA (0.55) PPARAPPARGPPARDPDE10ALIPG
SCHEMBL31949 0.75 PPARA (0.55) PPARAPPARGPPARDPDE10ALIPG
SCHEMBL31954 0.74 PPARA (0.54) PPARAPPARGPPARDPDE10ALIPG
SCHEMBL31889 0.73 PPARA (0.51) PPARAPPARGPPARDLIPG
SCHEMBL31948 0.72 PPARA (0.58) PPARAPPARGPPARDPDE10ALIPG
SCHEMBL31881 0.72 PTGER4 (0.51) PPARAPPARGPPARD
SCHEMBL31944 0.71 PPARA (0.47) PPARAPPARGPPARDDRD2HDAC6
SCHEMBL31943 0.71 PPARG (0.50) PPARAPPARGPPARDLIPGHDAC6

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