SCHEMBL28375339

SCHEMBL28375339

O=S(=O)(NCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.57
CA1 P00915 16/20 0.57
MMP1 P03956 6/20 0.57
MMP2 P08253 6/20 0.57
MMP9 P14780 6/20 0.57
MMP8 P22894 6/20 0.57
MMP13 P45452 6/20 0.57
F2 P00734 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39

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
SCHEMBL7884226 1.00 CA2 (0.57) CA2CA1MMP1MMP2MMP9
SCHEMBL7884221 1.00 CA2 (0.57) CA2CA1MMP1MMP2MMP9
SCHEMBL1851655 1.00 CA2 (0.57) CA2CA1MMP1MMP2MMP9
SCHEMBL1070262 0.98 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL19042198 0.92 CA2 (0.49) CA2CA1MMP1MMP2MMP9
SCHEMBL6260406 0.89 CA2 (0.53) CA2CA1MMP1MMP2MMP9
SCHEMBL19042201 0.87 CA2 (0.53) CA2CA1MMP1MMP2MMP9
SCHEMBL7887472 0.86 CA2 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL7884131 0.86 CA2 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL7881220 0.85 CA2 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109382048-B Hydrogel composed of regular brick-shaped aggregates and preparation method thereof 中国石油大学(北京) 2020-11-24 CN claimed
CN-106336498-B Hydrolysis resistance agent for fluorine-silicon modified polyurethane artificial leather and preparation method thereof 衢州氟硅技术研究院 2020-03-31 CN claimed
CN-109382048-B Hydrogel composed of regular brick-shaped aggregates and preparation method thereof 中国石油大学(北京) 2020-11-24 CN disclosed
CN-107163208-B Durable environment-friendly fluorine-containing nano three-proofing finishing agent and preparation method and application thereof 黑龙江泰纳科技集团股份有限公司 2020-10-13 CN disclosed
CN-106336498-B Hydrolysis resistance agent for fluorine-silicon modified polyurethane artificial leather and preparation method thereof 衢州氟硅技术研究院 2020-03-31 CN disclosed