SCHEMBL9561852

SCHEMBL9561852

C=CCN(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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.35
MMP1 P03956 8/20 0.34
MMP2 P08253 8/20 0.34
MMP9 P14780 8/20 0.34
MMP8 P22894 8/20 0.34
MMP13 P45452 8/20 0.34
CA1 P00915 5/20 0.34
F2 P00734 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31

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
SCHEMBL11347337 0.98 CA2 (0.35) CA2MMP1MMP2MMP9MMP8
SCHEMBL8982135 0.90 CA2 (0.39) CA2MMP1MMP2MMP9MMP8
SCHEMBL27782560 0.88 CA2 (0.38) CA2MMP1MMP2MMP9MMP8
SCHEMBL11357419 0.85 MMP1 (0.34) CA2MMP1MMP2MMP9MMP8
SCHEMBL29910639 0.84 CA2 (0.43) CA2MMP1MMP2MMP9MMP8
SCHEMBL9340018 0.82 CA2 (0.40) CA2MMP1MMP2MMP9MMP8
SCHEMBL28433285 0.82 RAB9A (0.35) CA2MMP1MMP2MMP9MMP8
SCHEMBL7630351 0.81 CA2 (0.38) CA2MMP1MMP2MMP9MMP8
SCHEMBL1524219 0.81 CA2 (0.38) CA2MMP1MMP2MMP9MMP8
SCHEMBL6864920 0.81 CA2 (0.38) CA2MMP1MMP2MMP9MMP8

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-0545430-A1 Dielectric liquids MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-06-09 EP disclosed
US-5159527-A Homogeneity mixture of fluorinated liquid and fluorine containing sulfonate and sulfonamide MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-27 US disclosed