SCHEMBL28705244

SCHEMBL28705244

CCCC(C)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.34
CA1 P00915 10/20 0.34
MMP1 P03956 6/20 0.34
MMP2 P08253 6/20 0.34
MMP9 P14780 6/20 0.34
MMP8 P22894 6/20 0.34
MMP13 P45452 6/20 0.34
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
SCHEMBL576280 0.83 CA2 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL6967239 0.80 CA12 (0.31) CA2CA1
SCHEMBL19903211 0.80 CA12 (0.31) CA2CA1
SCHEMBL29308549 0.80 CA12 (0.31) CA2CA1
SCHEMBL576488 0.79 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL575673 0.78 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL576110 0.78 CA1 (0.40) CA2CA1
SCHEMBL576053 0.78 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL981092 0.78 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL575405 0.77 CA2 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110016378-B Preparation method of novel ionic liquid lubricating film 中国人民解放军联勤保障部队军需能源质量监督总站成都质量监督站 2022-03-29 CN disclosed