SCHEMBL29068787

SCHEMBL29068787

CCCC=C(C)C=CC=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.41
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.34
GAPDH P04406 2/20 0.32
DDAH1 O94760 1/20 0.31
MAPT P10636 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.31
PTPN1 P18031 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
SCHEMBL23087045 0.84 TRPA1 (0.48) TRPA1ALDH1A1TSHRGAPDHDDAH1
SCHEMBL28912640 0.84 TRPA1 (0.48) TRPA1ALDH1A1TSHRGAPDHDDAH1
SCHEMBL30698180 0.84 TRPA1 (0.48) TRPA1ALDH1A1TSHRGAPDHDDAH1
SCHEMBL23087043 0.84 TRPA1 (0.48) TRPA1ALDH1A1TSHRGAPDHDDAH1
SCHEMBL13825221 0.84 TRPA1 (0.48) TRPA1ALDH1A1TSHRGAPDHDDAH1
SCHEMBL13825210 0.81
SCHEMBL11369941 0.76
SCHEMBL11369946 0.76
SCHEMBL13337084 0.76 TRPA1 (0.39) TRPA1ALDH1A1TSHRGAPDHDDAH1
SCHEMBL13825214 0.76 TRPA1 (0.39) TRPA1ALDH1A1TSHRGAPDHDDAH1

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
CN-116669572-A Heat treated soy flour 皆食得公司 2023-08-29 CN disclosed
CN-116509735-A Fragrance and flavor compositions containing acetophenone derivatives 西姆莱斯股份公司 2023-08-01 CN disclosed