SCHEMBL11223481

SCHEMBL11223481

CSCCCCCCCN=C=O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.63
NAAA Q02083 1/20 0.32
GSK3B P49841 1/20 0.31
RNPEP Q9H4A4 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
SCHEMBL11221370 1.00 TRPA1 (0.63) TRPA1NAAAGSK3BRNPEP
SCHEMBL4760865 0.98
SCHEMBL11847334 0.91
SCHEMBL3690807 0.81 TRPA1 (0.40) TRPA1NAAA
SCHEMBL484024 0.81 TRPA1 (0.40) TRPA1NAAA
SCHEMBL331429 0.81 TRPA1 (0.40) TRPA1NAAA
SCHEMBL2892801 0.80
SCHEMBL1477623 0.80 MIF (0.38) TRPA1NAAAGSK3B
SCHEMBL4251350 0.80 MIF (0.38) TRPA1NAAAGSK3B
SCHEMBL3238884 0.80 MIF (0.38) TRPA1NAAAGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57177667-A None JP disclosed
JP-S57177667-A SPICE COMPOSITION KINJIRUSHI WASABI KK 1982-11-01 JP disclosed