SCHEMBL5522099

SCHEMBL5522099

CC(C)[N+](C)(C)C.O=S(=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 7/20 0.41
CA1 P00915 6/20 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
F2 P00734 4/20 0.33
PRSS1 P07477 4/20 0.33
PRSS2 P07478 4/20 0.33
PRSS3 P35030 4/20 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
SCHEMBL236522 0.90 CA2 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL236878 0.89 CA2 (0.41) CA2CA1MMP1MMP2MMP9
Tetramethylammonium Ion SCHEMBL218101 0.87 CA2 (0.46) CA2CA1MMP1MMP2MMP9
Tetramethylammonium Ion SCHEMBL4802828 0.85 CA2 (0.48) CA2CA1MMP1MMP2MMP9
Tetramethylammonium Ion SCHEMBL8101336 0.85 CA2 (0.48) CA2CA1MMP1MMP2MMP9
SCHEMBL4450608 0.84 CA2 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL7053425 0.83 CA2 (0.37) CA2CA1MMP1MMP2MMP9
Tetramethylammonium Ion SCHEMBL8104300 0.81 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL30145621 0.80 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL545689 0.80 CA2 (0.52) 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
US-7169333-B2 Antistatic agent BAYER AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
US-20030139503-A1 Antistatic agent COVESTRO DEUTSCHLAND AG (DE) 2003-07-24 US disclosed