SCHEMBL3458873

SCHEMBL3458873

C=CC(=O)OC(C)NS(=O)(=O)C(C)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
MMP1 P03956 4/20 0.38
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
MMP8 P22894 4/20 0.38
MMP13 P45452 4/20 0.38

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
SCHEMBL4650786 0.99 CA1 (0.37) CA1CA2MMP1MMP2MMP9
SCHEMBL325042 0.87 CA1 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL5399537 0.86 CA2 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL28384329 0.86 CA2 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL10062664 0.82 TSHR (0.34) CA1CA2MMP1MMP2MMP9
SCHEMBL3459499 0.82 CA1 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL8214170 0.82 CA1 (0.35) CA1CA2MMP1MMP2MMP9
SCHEMBL8209700 0.81 CA1 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL28902869 0.80 CA1 (0.33) CA1CA2MMP1MMP2MMP9
SCHEMBL4577815 0.78 CA1 (0.32) 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
EP-2167550-A1 FLUORINATED COMPOSITIONS AND SURFACE TREATMENTS MADE THEREFROM 3M Innovative Properties Company (US) 2010-03-31 EP disclosed
WO-2008154279-A1 FLUORINATED COMPOSITIONS AND SURFACE TREATMENTS MADE THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-12-18 WO disclosed