SCHEMBL11075263

SCHEMBL11075263

CC(CC/C=C\O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
TRPA1 O75762 4/20 0.46
TAAR1 Q96RJ0 3/20 0.45
AOC3 Q16853 2/20 0.41

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
SCHEMBL5855859 0.82 RIPK1 (0.50) RIPK1TRPA1TAAR1AOC3
SCHEMBL5855864 0.82 RIPK1 (0.50) RIPK1TRPA1TAAR1AOC3
SCHEMBL15780503 0.81 TRPA1 (0.36) RIPK1TRPA1TAAR1
SCHEMBL6014489 0.81 TAAR1 (0.50) RIPK1TRPA1TAAR1AOC3
SCHEMBL6014494 0.81 TAAR1 (0.50) RIPK1TRPA1TAAR1AOC3
SCHEMBL10894835 0.79 RIPK1 (0.47) RIPK1TRPA1TAAR1AOC3
SCHEMBL10894829 0.79 RIPK1 (0.47) RIPK1TRPA1TAAR1AOC3
SCHEMBL4578844 0.78 RIPK1 (0.53) RIPK1TRPA1TAAR1AOC3
SCHEMBL6280516 0.76 RIPK1 (0.67) RIPK1TRPA1TAAR1AOC3
SCHEMBL7390276 0.76 RIPK1 (0.52) RIPK1TRPA1TAAR1AOC3

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
EP-0111105-A2 Unsaturated aromatic amides as pesticides THE WELLCOME FOUNDATION LIMITED (GB) 1984-06-20 EP disclosed