SCHEMBL7708197

SCHEMBL7708197

CC(C)(C)OC(=O)c1ccccc1[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
MMP1 P03956 3/20 0.31
MMP2 P08253 3/20 0.31
MMP9 P14780 3/20 0.31
MMP8 P22894 3/20 0.31
MMP13 P45452 3/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
ELANE P08246 1/20 0.30
PRTN3 P24158 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
SCHEMBL2072597 0.84 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL7708852 0.82 ALDH1A1 (0.38)
SCHEMBL8216517 0.82 CA12 (0.30) CA1CA2CA12CA9CA14
SCHEMBL29370267 0.81 ACLY (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL6662689 0.81 ACLY (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL1516293 0.79 HSD11B1 (0.36) CA1CA2MMP1MMP2MMP9
Trifluoromethanesulfonic Acid SCHEMBL5698051 0.78 ACHE (0.33) CA1CA2CA12CA9CA14
SCHEMBL2003359 0.78 CA1 (0.35) CA1CA2MMP1MMP2MMP9
SCHEMBL548554 0.78 CA1 (0.32) CA1CA2MMP1MMP2MMP9
SCHEMBL3694542 0.77 ELANE (0.40) CA1CA2MMP1MMP2MMP9

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
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed