SCHEMBL10017784

SCHEMBL10017784

CC(CC(C(N)=O)C(C)C(N)=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.49
ALOX5 P09917 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
EPHX1 P07099 1/20 0.42
AOC3 Q16853 2/20 0.42
KMT2A Q03164 2/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NR3C2 P08235 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL23934938 0.82 TRPA1 (0.49) TRPA1ALOX5TAAR1EPHX1AOC3
SCHEMBL14601401 0.81 MMP1 (0.44) TRPA1ALOX5TAAR1AOC3KMT2A
SCHEMBL13924945 0.79 TRPA1 (0.52) TRPA1TAAR1AOC3CYP2D6
SCHEMBL13948840 0.79 TRPA1 (0.52) TRPA1TAAR1AOC3CYP2D6
SCHEMBL12715042 0.79 TRPA1 (0.52) TRPA1TAAR1AOC3CYP2D6
SCHEMBL5023479 0.79 TRPA1 (0.52) TRPA1ALOX5TAAR1EPHX1AOC3
SCHEMBL13346634 0.77 TRPA1 (0.50) TRPA1TAAR1AOC3HPGD
SCHEMBL1716524 0.77 TRPA1 (0.53) TRPA1TAAR1AOC3CYP2D6
SCHEMBL14033301 0.76 TRPA1 (0.53) TRPA1ALOX5TAAR1EPHX1AOC3
SCHEMBL14204960 0.76 TRPA1 (0.49) TRPA1TAAR1AOC3CYP2D6

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-20120027994-A1 TRANSPARENT CONDUCTIVE FILM AND METHOD FOR MANUFACTURING TRANSPARENT CONDUCTIVE FILM KONICA MINOLTA HOLDINGS, INC. (JP) 2012-02-02 US disclosed