SCHEMBL9729082

SCHEMBL9729082

CCCCCCCCCCCCc1cc(N)no1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.51
ALDH1A1 P00352 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
TLR8 Q9NR97 2/20 0.36
MAPT P10636 1/20 0.36
PTGS2 P35354 2/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
NOS2 P35228 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL9819439 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL9729317 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL9728878 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL9728795 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL4109812 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL9729094 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL4097027 1.00 PPARA (0.51) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL4104171 0.98 PPARA (0.49) PPARAALDH1A1GPR84TLR8MAPT
SCHEMBL1758968 0.92 PPARA (0.43) PPARATLR8NOS2
SCHEMBL4112008 0.84

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
US-5162360-A Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1992-11-10 US disclosed