SCHEMBL9979640

SCHEMBL9979640

Cc1ccc(N2Cc3c(COc4ccc5c(CC(=O)O)coc5c4)cccc3C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.51
FFAR1 O14842 1/20 0.51
PPARA Q07869 5/20 0.47
PPARG P37231 1/20 0.47
MAPT P10636 4/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL9979669 0.92 PPARD (0.53) PPARDFFAR1PPARAPPARGMAPT
SCHEMBL9979584 0.91 POLB (0.44) PPARDFFAR1MAPTHTTMEN1
SCHEMBL9979633 0.90 PPARD (0.55) PPARDFFAR1PPARAPPARGMAPT
SCHEMBL9979623 0.90 PPARD (0.67) PPARDFFAR1PPARAPPARGPTGER4
SCHEMBL9979520 0.85 PPARD (0.43) PPARDFFAR1PPARAPPARGMAPT
SCHEMBL9979500 0.83 PPARD (0.51) PPARDFFAR1PPARAPPARGPTGER4
SCHEMBL9979618 0.83 PPARD (0.44) PPARDFFAR1PPARAPPARGMAPT
SCHEMBL9979510 0.83 PPARD (0.53) PPARDFFAR1PPARAPPARGMAPT
SCHEMBL9979625 0.81 MAPT (0.47) FFAR1MAPTALOX15SMN1; SMN2HTT
SCHEMBL9979526 0.76 FFAR1 (0.58) PPARDFFAR1PPARG

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