SCHEMBL28293675

SCHEMBL28293675

CC/C=C/c1ccc([SH](=O)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.33
▸ PAM P19021 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ TRPA1 O75762 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
SCHEMBL28295477 1.00 KCNH2 (0.33) KCNH2PAMALOX5PTGS1PTGS2
SCHEMBL9131838 0.76 ALOX5 (0.50) ALOX5PTGS1PTGS2
SCHEMBL9131824 0.76 ALOX5 (0.50) ALOX5PTGS1PTGS2
SCHEMBL28835558 0.75 RELA (0.34) PTGS2CA12CA1CA2CA7
SCHEMBL14174574 0.73 ALDH1A1 (0.58) —
SCHEMBL8442224 0.73 NFE2L2 (0.50) ALOX5PTGS1PTGS2CA1
SCHEMBL5704309 0.73 NFE2L2 (0.50) ALOX5PTGS1PTGS2CA1
SCHEMBL27985142 0.72 KCNH2 (0.31) KCNH2
SCHEMBL15623096 0.72 APP (0.59) KCNH2
SCHEMBL18905532 0.71 HTR2A (0.36) KCNH2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651209-A A kind of method that carbon-to-carbon σ-bond activation prepares (E) -1- phenyl -4- sulfonyl but-1-ene class compound 湖南理工学院 2019-04-19 — — CN claimed
CN-109651209-B Method for preparing (E) -1-phenyl-4-sulfonyl butyl-1-alkene compound by activating carbon-carbon sigma-bond 湖南理工学院 2020-08-11 — — CN disclosed
CN-109651209-B Method for preparing (E) -1-phenyl-4-sulfonyl butyl-1-alkene compound by activating carbon-carbon sigma-bond 湖南理工学院 2020-08-11 — — CN disclosed
CN-109651210-B Preparation method of 3-sulfonyl-1, 2-dihydronaphthalene compound 湖南理工学院 2020-08-07 — — CN disclosed
CN-109651209-A A kind of method that carbon-to-carbon σ-bond activation prepares (E) -1- phenyl -4- sulfonyl but-1-ene class compound 湖南理工学院 2019-04-19 — — CN disclosed
CN-109651209-A A kind of method that carbon-to-carbon σ-bond activation prepares (E) -1- phenyl -4- sulfonyl but-1-ene class compound 湖南理工学院 2019-04-19 — — CN disclosed
CN-109651209-A A kind of method that carbon-to-carbon σ-bond activation prepares (E) -1- phenyl -4- sulfonyl but-1-ene class compound 湖南理工学院 2019-04-19 — — CN disclosed
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