SCHEMBL29664323

SCHEMBL29664323

CC#CN(CCCC)C(=O)I

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
ALDH1A1 P00352 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL5145197 0.82 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL7742052 0.80 CA1 (0.36) CA12CA1CA9MMP1MMP2
SCHEMBL150184 0.79 CA12 (0.33) CA12CA1CA9MMP1MMP2
SCHEMBL6005130 0.74 CA12 (0.32) CA12CA1CA9MMP1MMP2
SCHEMBL29001890 0.67
SCHEMBL1583005 0.66 DNM1 (0.32) CA12CA1CA9ALDH1A1
SCHEMBL168928 0.65 CA12 (0.34) CA12CA1CA9MMP1MMP2
SCHEMBL509830 0.64 CA12 (0.33) CA12CA1CA9MMP1MMP2
SCHEMBL629569 0.64 CA12 (0.33) CA12CA1CA9MMP1MMP2
SCHEMBL1400993 0.64 CA12 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022124031-A1 WET WIPES, CONTAINER FOR WET WIPES, AND DRUG SOLUTION FOR WET WIPES ユニ・チャーム株式会社 2022-06-16 WO disclosed