SCHEMBL28107393

SCHEMBL28107393

CCCCN(CC#CI)C(=O)ON

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
ZDHHC20 Q5W0Z9 2/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 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
SCHEMBL29033807 0.85 CA12 (0.39) CA12CA1CA9MMP1MMP2
SCHEMBL28032056 0.84 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL28032094 0.84 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL8961036 0.84 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL28037512 0.84 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL3686530 0.81 CA12 (0.41) CA12CA1CA9MMP1MMP2
SCHEMBL22550040 0.80 CA12 (0.50) CA12CA1CA9MMP1MMP2
SCHEMBL309218 0.80 CA12 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL9387745 0.75 ZDHHC20 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL1022096 0.73 ZDHHC20 (0.44) CA12CA1CA9ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106079785-A A kind of fire-retardant composite wallpaper of antimildew and antibacterial 钱学东 2016-11-09 CN claimed
CN-108738297-A The method for reducing the microbial infection of industrial products 托尔有限公司 2018-11-02 CN disclosed
CN-103201347-B The fluid composition of the coating with ntiviral characteristic can be formed 法商亚宙维金斯安全公司 2017-03-01 CN disclosed
CN-103282447-B Antifouling coating composition 阿克佐诺贝尔国际涂料股份有限公司 2016-12-07 CN disclosed