SCHEMBL28512307

SCHEMBL28512307

[CH2]CCNS(=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 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.52
CA1 P00915 18/20 0.52
MMP1 P03956 6/20 0.52
MMP2 P08253 6/20 0.52
MMP9 P14780 6/20 0.52
MMP8 P22894 6/20 0.52
MMP13 P45452 6/20 0.52
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL10950881 1.00 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL449007 0.98 CA2 (0.51) CA2CA1MMP1MMP2MMP9
SCHEMBL4580836 0.84 CA2 (0.55) CA2CA1MMP1MMP2MMP9
SCHEMBL448732 0.82 CA2 (0.55) CA2CA1MMP1MMP2MMP9
SCHEMBL4784342 0.81 CA1 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL9157457 0.81 CA1 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL1851655 0.81 CA2 (0.57) CA2CA1MMP1MMP2MMP9
SCHEMBL28375339 0.81 CA2 (0.57) CA2CA1MMP1MMP2MMP9
SCHEMBL9069199 0.81 CA1 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL6139545 0.81 CA2 (0.54) 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-112063269-A Bathroom ceramic tile leakage-proof agent and preparation method and application thereof 上海承一化学科技有限公司 2020-12-11 CN disclosed