SCHEMBL6940701

SCHEMBL6940701

CC=CN(CCCC)C(=O)OI

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL7059374 0.77 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL7059370 0.77 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL17517801 0.69 MMP1 (0.31) MMP1MMP2MMP3MMP8
SCHEMBL2479295 0.69 CA12 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL16628825 0.66 HCAR2 (0.43) CA12CA1CA9
SCHEMBL18978008 0.66 CA12 (0.34) CA12CA1CA9MMP1MMP2
SCHEMBL11295894 0.65 CA12 (0.33) CA12CA9
SCHEMBL11295892 0.65 CA12 (0.33) CA12CA9
SCHEMBL150184 0.64 CA12 (0.33) CA12CA1CA9MMP1MMP2
SCHEMBL5467158 0.63 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1989233-B Improvement of cleaning or relating to cleaning RECKITT BENCKISER UK LTD (GB) 2011-01-12 CN disclosed
CN-101316921-A Composition and method RECKITT BENCKISER NV (NL) 2008-12-03 CN disclosed
CN-1989233-A Liquid cleaning composition, catalyst therefor and methods of cleaning RECKITT BENCKISER UK LTD (GB) 2007-06-27 CN disclosed
EP-1288336-A1 Process for inhibiting corrosion in aqueous systems with halogen treated aromatic azoles ROHM AND HAAS COMPANY (US) 2003-03-05 EP disclosed
US-20030035749-A1 Process for treating aqueous systems HANN WILLIAM M (US) 2003-02-20 US disclosed