SCHEMBL30818322

SCHEMBL30818322

CCC=C/C=C/C=C/C=O

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.77
ALDH1A1 P00352 3/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAPDH P04406 1/20 0.35
PPARA Q07869 1/20 0.31

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
SCHEMBL31429785 1.00 TRPA1 (0.77) TRPA1ALDH1A1TSHRMAPK1TDP1
SCHEMBL29151929 1.00 TRPA1 (0.77) TRPA1ALDH1A1TSHRMAPK1TDP1
SCHEMBL1301402 1.00 TRPA1 (0.77) TRPA1ALDH1A1TSHRMAPK1TDP1
2,4-Heptadienal SCHEMBL15681519 1.00
2,4-Heptadienal SCHEMBL231267 1.00
SCHEMBL811429 1.00 TRPA1 (0.77) TRPA1ALDH1A1TSHRMAPK1TDP1
2,4-Heptadienal SCHEMBL5181659 1.00
2,4-Heptadienal SCHEMBL2904837 1.00
SCHEMBL1300991 1.00 TRPA1 (0.77) TRPA1ALDH1A1TSHRMAPK1TDP1
SCHEMBL29151930 1.00 TRPA1 (0.77) TRPA1ALDH1A1TSHRMAPK1TDP1

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-117529238-A Flavoring composition for taste improvement 西姆莱斯有限公司 2024-02-06 CN claimed