SCHEMBL28953129

SCHEMBL28953129

CC(C)c1ccccc1C1=CCC(N)(N)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
TRPA1 O75762 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
DPP4 P27487 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 1/20 0.30

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
Methane SCHEMBL27304442 0.98 CA12 (0.38) CA12CA1CA2CA9FAAH
Methane SCHEMBL28309651 0.85 CA12 (0.30) CA12CA1CA2CA9
Methane SCHEMBL27493398 0.85 CA12 (0.35) CA12CA1CA2CA9PPARA
SCHEMBL30570298 0.83 IDO1 (0.31)
SCHEMBL28983710 0.79 GRIA1 (0.35) CA12CA1CA2CA9
Methane SCHEMBL28094000 0.78 GRIA1 (0.34) CA12CA1CA2CA9
SCHEMBL29257684 0.76 ALDH1A1 (0.35) MGLLDPP4
SCHEMBL30338452 0.76 ALDH1A1 (0.35) MGLLDPP4
SCHEMBL28347989 0.76 PTPRC (0.34)
SCHEMBL28110404 0.76 CYP2A6 (0.35) DPP4

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
CN-106462094-A Toner binder and toner 三洋化成工业株式会社 2017-02-22 CN disclosed