SCHEMBL3458871

SCHEMBL3458871

C=CC(=O)OC(C)CN(F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.34
MMP2 P08253 9/20 0.34
MMP9 P14780 9/20 0.34
MMP8 P22894 9/20 0.34
MMP13 P45452 9/20 0.34
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
TSHR P16473 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
SCHEMBL4650782 0.99 MMP1 (0.34) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8214167 0.84 CA1 (0.31) MMP1MMP2MMP9MMP8MMP13
SCHEMBL4652883 0.82
SCHEMBL3459497 0.82 MMP1 (0.34) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8209698 0.81 MMP1 (0.34) MMP1MMP2MMP9MMP8MMP13
SCHEMBL4577812 0.80 TSHR (0.34) TSHR
SCHEMBL1350584 0.77 MMP1 (0.35) MMP1MMP2MMP9MMP8MMP13
SCHEMBL5026615 0.76 MMP1 (0.34) MMP1MMP2MMP9MMP8MMP13
SCHEMBL2744930 0.76 MMP1 (0.40) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8852723 0.75 CA1 (0.31) MMP1MMP2MMP9MMP8MMP13

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