SCHEMBL28458609

SCHEMBL28458609

O=S(=O)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[KH]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.41
CA1 P00915 10/20 0.40
MMP1 P03956 4/20 0.40
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP8 P22894 4/20 0.40
MMP13 P45452 4/20 0.40
F2 P00734 4/20 0.36
PRSS1 P07477 4/20 0.36
PRSS2 P07478 4/20 0.36
PRSS3 P35030 4/20 0.36

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
SCHEMBL27096242 0.98 CA2 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL28345876 0.88 CA2 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL2387565 0.86 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL482177 0.86 CA2 (0.41) CA2CA1MMP1MMP2MMP9
Ammonia Solution, Strong SCHEMBL27813781 0.84 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL23648019 0.82 CA2 (0.36) CA2CA1MMP1MMP2MMP9
SCHEMBL27912418 0.81 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL777176 0.81 CA2 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL2959331 0.79 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL9141603 0.79 CA2 (0.38) 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-111499547-A Preparation method and application of alkyl ether sulfonyl fluoride compound 江汉大学 2020-08-07 CN disclosed