SCHEMBL3671598

SCHEMBL3671598

CNCC(=O)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.41
CA1 P00915 12/20 0.41
MMP1 P03956 8/20 0.41
MMP2 P08253 8/20 0.41
MMP9 P14780 8/20 0.41
MMP8 P22894 8/20 0.41
MMP13 P45452 8/20 0.41
F2 P00734 4/20 0.38
PRSS1 P07477 4/20 0.38
PRSS2 P07478 4/20 0.38
PRSS3 P35030 4/20 0.38

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
SCHEMBL29033372 0.77 F2 (0.42) CA2CA1MMP1MMP2MMP9
SCHEMBL29157502 0.73 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL28818575 0.72 FAAH (0.41)
SCHEMBL27809184 0.69 CA2 (0.44) CA2CA1MMP1MMP2MMP9
SCHEMBL22322503 0.68 THRB (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL31574026 0.68 CA2 (0.36) CA2CA1MMP1MMP2MMP9
SCHEMBL28894319 0.68 CA2 (0.36) CA2CA1MMP1MMP2MMP9
SCHEMBL29355894 0.68 CA12 (0.31) CA2CA1
SCHEMBL31412986 0.67 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL16505929 0.67 THRB (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242818-A1 METHODS FOR TREATING HYDROCARBON-BEARING FORMATIONS WITH FLUORINATED ANIONIC SURFACTANT COMPOSITIONS 3M Innovative Properties Company (US) 2010-10-27 EP disclosed
WO-2009085899-A1 METHODS FOR TREATING HYDROCARBON-BEARING FORMATIONS WITH FLUORINATED ANIONIC SURFACTANT COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-07-09 WO disclosed