SCHEMBL30739641

SCHEMBL30739641

CCOC(/C=C/c1ccc(F)c(Cl)c1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
NFE2L2 Q16236 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
CHAT P28329 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32

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
SCHEMBL18144160 1.00 TRPA1 (0.42) TRPA1ALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL18144158 1.00 TRPA1 (0.42) TRPA1ALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL30739742 0.86 CHAT (0.42) ALDH1A1SLC6A2SLC6A4CHAT
SCHEMBL18144190 0.86 CHAT (0.42) ALDH1A1SLC6A2SLC6A4CHAT
SCHEMBL18144186 0.86 CHAT (0.42) ALDH1A1SLC6A2SLC6A4CHAT
SCHEMBL21996056 0.79 APP (0.35) SLC6A4NFE2L2TUBB1
SCHEMBL21996054 0.79 APP (0.35) SLC6A4NFE2L2TUBB1
SCHEMBL30138657 0.79 APP (0.35) SLC6A4NFE2L2TUBB1
SCHEMBL18143983 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18143986 0.79 ALDH1A1 (0.30) ALDH1A1

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-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed