SCHEMBL29033807

SCHEMBL29033807

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
ZDHHC20 Q5W0Z9 2/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
ACHE P22303 1/20 0.30
EPHX1 P07099 1/20 0.30
CA2 P00918 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
SCHEMBL28037512 0.85 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL8961036 0.85 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL28032056 0.85 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL28107393 0.85 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL28032094 0.85 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL309218 0.81 CA12 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL304950 0.80 CA1 (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL7521208 0.79 ZDHHC20 (0.51) CA12CA1CA9MMP1MMP2
SCHEMBL3686530 0.79 CA12 (0.41) CA12CA1CA9MMP1MMP2
SCHEMBL16091402 0.76 CA12 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116445231-A Anti-fog cleaning wet tissue and preparation method thereof 苏州安侯医疗科技有限公司 2023-07-18 CN claimed
CN-116445231-A Anti-fog cleaning wet tissue and preparation method thereof 苏州安侯医疗科技有限公司 2023-07-18 CN disclosed