SCHEMBL14033301

SCHEMBL14033301

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.53
TAAR1 Q96RJ0 2/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
ALOX5 P09917 1/20 0.42
EPHX1 P07099 1/20 0.42
AOC3 Q16853 2/20 0.42
LMNA P02545 2/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
POLB P06746 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
SCHEMBL1716855 0.86 TRPA1 (0.56) TRPA1TAAR1KMT2AMEN1LMNA
SCHEMBL12228633 0.84 TRPA1 (0.54) TRPA1TAAR1KMT2AMEN1LMNA
SCHEMBL19971849 0.83 TDP1 (0.41) TRPA1TRPM8AOC3
SCHEMBL14501807 0.80 MEN1 (0.51) TRPA1KMT2AMEN1
SCHEMBL14032701 0.80 CA1 (0.40) KMT2AMEN1LMNA
SCHEMBL23934938 0.79 TRPA1 (0.49) TRPA1TAAR1KMT2AMEN1TRPM8
SCHEMBL5023479 0.79 TRPA1 (0.52) TRPA1TAAR1KMT2AALOX5EPHX1
SCHEMBL13418602 0.77 TRPA1 (0.50) TRPA1TAAR1KMT2AMEN1LMNA
SCHEMBL10017784 0.76 TRPA1 (0.49) TRPA1TAAR1KMT2ATRPM8ALOX5
SCHEMBL15827673 0.75 CHRM2 (0.47) TRPA1LMNA

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-7439309-B2 Silver halide photographic light-sensitive material, photographic emulsion, and mercapto group-containing polymer compound used for them FUJIFILM CORPORATION (JP) 2008-10-21 US disclosed