SCHEMBL7723040

SCHEMBL7723040

CCN(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)N(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.35
CA1 P00915 3/20 0.33
MMP1 P03956 3/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
MMP13 P45452 3/20 0.33
F2 P00734 3/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33

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
SCHEMBL8063197 0.83 F2 (0.32) CA2CA1MMP1MMP2MMP9
SCHEMBL10970078 0.82 MMP1 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL8063370 0.81
SCHEMBL7061153 0.81 MMP1 (0.32) CA2CA1MMP1MMP2MMP9
SCHEMBL7056627 0.80 CA1 (0.31) CA2CA1MMP1MMP2MMP9
SCHEMBL28613868 0.79 CA1 (0.32) CA2CA1MMP1MMP2MMP9
SCHEMBL28689504 0.78 CA1 (0.32) CA2CA1MMP1MMP2MMP9
SCHEMBL8674420 0.77 MMP1 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL27147823 0.75 THRB (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL30661010 0.75 MMP1 (0.37) CA2CA1MMP1MMP2MMP9

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-6391948-B1 MELT EXTRUSION OF FIBERS, FILMS, COATINGS 3M INNOVATIVE PROPERTIES COMPANY 2002-05-21 US disclosed
WO-2001044209-A1 TRIAZINE COMPOUNDS AND USE AS WATER REPELLENT 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-06-21 WO disclosed