SCHEMBL31933

SCHEMBL31933

COc1ccc(CN2C(=O)NC(=O)[C@H]2CCC(=O)O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.55
PPARD Q03181 5/20 0.55
PPARG P37231 4/20 0.55
PTGER4 P35408 2/20 0.47
PTGER2 P43116 1/20 0.47
LIPG Q9Y5X9 1/20 0.44
PDE10A Q9Y233 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 2/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 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
SCHEMBL12634630 0.78 PPARA (0.59) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL31940 0.77 PPARA (0.58) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL31948 0.77 PPARA (0.58) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL12634663 0.76 PPARA (0.60) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL12634669 0.75 PPARA (0.61) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL12636184 0.74 PPARA (0.59) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL12636546 0.74 PPARA (0.61) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL12634652 0.73 PPARA (0.57) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL12635643 0.73 PPARA (0.57) PPARAPPARDPPARGPTGER4PTGER2
SCHEMBL12634671 0.73 PPARA (0.55) PPARAPPARDPPARGPTGER4PTGER2

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