SCHEMBL31960

SCHEMBL31960

COC(=O)C(C)(C)NCc1ccc(OC)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.63
PPARD Q03181 5/20 0.63
PPARG P37231 4/20 0.63
PTGER4 P35408 2/20 0.53
PTGER2 P43116 1/20 0.53
PTPN7 P35236 1/20 0.49
DUSP3 P51452 1/20 0.49
LIPG Q9Y5X9 1/20 0.48
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
SCHEMBL31861 0.79 PPARD (0.64) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL2752926 0.79 PPARA (0.79) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL29557298 0.77 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL5147335 0.77 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL2742676 0.77 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL12636184 0.77 PPARA (0.59) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL12636546 0.77 PPARA (0.61) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL12634669 0.76 PPARA (0.61) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL6375543 0.76 PPARA (0.86) PPARAPPARDPPARG
SCHEMBL6376945 0.76 PPARA (0.86) PPARAPPARDPPARG

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