SCHEMBL28032094

SCHEMBL28032094

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

nearest known ligand 0.38

Predicted protein targets (top 15)

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 0.33
ZDHHC2 Q9UIJ5 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALDH2 P05091 1/20 0.31
TSHR P16473 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
HPGD P15428 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
SCHEMBL29033807 0.85 CA12 (0.39) CA12CA1CA9MMP1MMP2
SCHEMBL28032056 0.84 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL8961036 0.84 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL28037512 0.84 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL28107393 0.84 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL309218 0.80 CA12 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL3686530 0.78 CA12 (0.41) CA12CA1CA9MMP1MMP2
SCHEMBL1022096 0.73 ZDHHC20 (0.44) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL9387745 0.72 ZDHHC20 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL5968730 0.69 CA12 (0.33) CA12CA1CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732414-B The method of control of amide derivatives, the noxious organism control agent containing the amide derivatives and harmful organism 三井化学AGRO株式会社 2019-05-03 CN disclosed
CN-105061251-B Anil 三井化学AGRO株式会社 2019-04-19 CN disclosed
CN-105732414-A AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD 三井化学AGRO株式会社 2016-07-06 CN disclosed
CN-105061251-A Amide derivative MITSUI CHEMICALS AGRO INC 2015-11-18 CN disclosed
CN-105061248-A Amide derivative, pest control agent containing the amide derivative and use of the pest control agent MITSUI CHEMICALS AGRO INC 2015-11-18 CN disclosed