SCHEMBL9979660

SCHEMBL9979660

O=C(O)Cc1coc2cc(/C=C/c3cccc4c3CN(c3ccc(OC(F)(F)F)cc3)C4=O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.41
PPARA Q07869 5/20 0.41
PPARG P37231 1/20 0.41
FFAR1 O14842 1/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER4 P35408 3/20 0.34
HTT P42858 1/20 0.33
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN9 P43378 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32

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
SCHEMBL9979703 0.91 L3MBTL1 (0.36) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9979617 0.90 PPARD (0.46) PPARDPPARAPPARGMAPTALOX15
SCHEMBL9979633 0.84 PPARD (0.55) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL9979624 0.82 PPARD (0.38) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9979668 0.80 POLB (0.43) MAPTALOX15SMN1; SMN2HTT
SCHEMBL9979531 0.78 PPARD (0.42) PPARDPPARAPPARG
SCHEMBL9979498 0.77 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL9979618 0.77 PPARD (0.44) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL9979623 0.77 PPARD (0.67) PPARDPPARAPPARGFFAR1PTGER4
SCHEMBL9979669 0.74 PPARD (0.53) PPARDPPARAPPARGFFAR1MAPT

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-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed