SCHEMBL31880

SCHEMBL31880

COc1ccc(CN2CC(=O)N(C3CC3)C2=O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.54
PPARA Q07869 4/20 0.54
PPARG P37231 2/20 0.54
LIPG Q9Y5X9 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER2 P43116 1/20 0.46
PDE10A Q9Y233 1/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
BTK Q06187 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
EGFR P00533 1/20 0.42
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL31942 0.91 PTGER4 (0.47) PPARDPPARAPPARGPTGER4PTGER2
SCHEMBL31763 0.89 PPARA (0.45) PPARDPPARAPPARGLIPGPDE10A
SCHEMBL12634671 0.86 PPARA (0.55) PPARDPPARAPPARGLIPGPTGER4
SCHEMBL31954 0.85 PPARA (0.54) PPARDPPARAPPARGLIPGPTGER4
SCHEMBL31949 0.84 PPARA (0.55) PPARDPPARAPPARGLIPGPTGER4
SCHEMBL31948 0.84 PPARA (0.58) PPARDPPARAPPARGLIPGPTGER4
SCHEMBL31943 0.81 PPARG (0.50) PPARDPPARAPPARGLIPGPTGER4
SCHEMBL31889 0.80 PPARA (0.51) PPARDPPARAPPARGLIPGPTGER4
SCHEMBL12636184 0.77 PPARA (0.59) PPARDPPARAPPARGLIPGPTGER4
SCHEMBL12636546 0.77 PPARA (0.61) PPARDPPARAPPARGLIPGPTGER4

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