SCHEMBL8090495

SCHEMBL8090495

CNS(=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)C(F)(F)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.61
CA1 P00915 16/20 0.61
MMP1 P03956 6/20 0.61
MMP2 P08253 6/20 0.61
MMP9 P14780 6/20 0.61
MMP8 P22894 6/20 0.61
MMP13 P45452 6/20 0.61
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43

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
SCHEMBL9069070 1.00 CA2 (0.61) CA2CA1MMP1MMP2MMP9
SCHEMBL155317 1.00 CA2 (0.61) CA2CA1MMP1MMP2MMP9
SCHEMBL3145913 1.00 CA2 (0.61) CA2CA1MMP1MMP2MMP9
SCHEMBL9069081 1.00 CA2 (0.61) CA2CA1MMP1MMP2MMP9
SCHEMBL155471 0.98 CA2 (0.60) CA2CA1MMP1MMP2MMP9
SCHEMBL3179140 0.90 CA2 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL10369251 0.90 CA2 (0.48) CA2CA1MMP1MMP2MMP9
Acetic Acid SCHEMBL28673417 0.90 CA2 (0.57) CA2CA1MMP1MMP2MMP9
Alcohol SCHEMBL11151356 0.90 CA2 (0.57) CA2CA1MMP1MMP2MMP9
SCHEMBL30233534 0.85 CA2 (0.55) 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
EP-0599023-B1 Fluorochemical aminoalcohols MINNESOTA MINING & MFG (US) 2000-08-16 EP disclosed
US-5380778-A Fluoroamino alcohol, thermoplastic resin, oil and water repellant coating for carpet fibers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-10 US disclosed
EP-0599023-A2 Fluorochemical aminoalcohols MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-06-01 EP disclosed
US-4041003-A Process for molding aromatic polycarbonates having perfluoroalkanesulphonic acid derivatives as mold release agents BAYER AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed
US-4007150-A OR CYCLIMMONIUM SALTS OF PERFLUOROALKANESULPHONIC ACIDS AS MOLD RELEASE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-08 US disclosed