SCHEMBL8947843

SCHEMBL8947843

CCN(C(F)(OP(=O)(O)OC(F)(N(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)C(F)(F)F)C(F)(F)F)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 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 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
Ammonia Solution, Strong SCHEMBL8015453 0.99 F2 (0.32) F2PRSS1PRSS2PRSS3CA2
Lithium Ion SCHEMBL8016107 0.85 CA2 (0.32) CA2CA1MMP1MMP2MMP9
SCHEMBL8019966 0.85 CA2 (0.33) CA2CA1MMP1MMP2MMP9
SCHEMBL8063197 0.80 F2 (0.32) F2PRSS1PRSS2PRSS3CA2
Phosphoric Acid SCHEMBL28387196 0.78 CA2 (0.35) F2PRSS1PRSS2PRSS3CA2
SCHEMBL2744932 0.75 F2 (0.31) F2PRSS1PRSS2PRSS3CA2
SCHEMBL5024954 0.75 F2 (0.31) F2PRSS1PRSS2PRSS3CA2
SCHEMBL8062850 0.75
SCHEMBL8674420 0.74 MMP1 (0.39) F2PRSS1PRSS2PRSS3CA2
SCHEMBL10970078 0.73 MMP1 (0.38) F2PRSS1PRSS2PRSS3CA2

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
US-5558940-A Oil- and water-repellent papers, processes for their production and new fluorine-containing copolymers for this purpose BAYER AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed