SCHEMBL29033372

SCHEMBL29033372

NCC(=O)OS(=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 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.42
PRSS1 P07477 4/20 0.42
PRSS2 P07478 4/20 0.42
PRSS3 P35030 4/20 0.42
CA2 P00918 15/20 0.41
CA1 P00915 14/20 0.41
MMP1 P03956 5/20 0.41
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41
MMP8 P22894 5/20 0.41
MMP13 P45452 5/20 0.41
THRB P10828 1/20 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
SCHEMBL3671598 0.77 CA2 (0.41) F2PRSS1PRSS2PRSS3CA2
SCHEMBL3849732 0.77 GSR (0.39) F2PRSS1PRSS2PRSS3CA2
SCHEMBL29157502 0.77 CA2 (0.44) F2PRSS1PRSS2PRSS3CA2
SCHEMBL27809184 0.77 CA2 (0.44) F2PRSS1PRSS2PRSS3CA2
SCHEMBL27662289 0.76 SLC1A1 (0.38) F2PRSS1PRSS2PRSS3CA2
SCHEMBL28269564 0.76 CA2 (0.33) F2PRSS1PRSS2PRSS3CA2
SCHEMBL22322503 0.76 THRB (0.43) F2PRSS1PRSS2PRSS3CA2
SCHEMBL134123 0.75 CA2 (0.35) F2PRSS1PRSS2PRSS3CA2
SCHEMBL16505929 0.74 THRB (0.42) F2PRSS1PRSS2PRSS3CA2
SCHEMBL28894319 0.71 CA2 (0.36) 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
CN-115078607-B Sample pretreatment method for measuring perfluorinated compounds in dairy products by one-step method 浙江省农业科学院 2023-07-18 CN disclosed