SCHEMBL7169643

SCHEMBL7169643

CCCCCCCCCCNC(CC)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
PPARA Q07869 3/20 0.44
EPHX1 P07099 11/20 0.42
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CASP2 P42575 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL7565844 1.00 CA2 (0.46) CA2CA1PPARAEPHX1ADH1B
SCHEMBL1412072 1.00 CA2 (0.46) CA2CA1PPARAEPHX1ADH1B
SCHEMBL11415416 1.00 CA2 (0.46) CA2CA1PPARAEPHX1ADH1B
SCHEMBL1698241 1.00 CA2 (0.46) CA2CA1PPARAEPHX1ADH1B
SCHEMBL9569819 1.00 CA2 (0.46) CA2CA1PPARAEPHX1ADH1B
SCHEMBL21623892 0.94 CA2 (0.41) CA2CA1PPARAEPHX1ADH1B
SCHEMBL22115559 0.85 FFAR4 (0.44) CA2CA1TP53
SCHEMBL28887000 0.85 TP53 (0.44) CA2CA1PPARAEPHX1CA12
SCHEMBL11801865 0.84 TP53 (0.42) CA2CA1PPARAEPHX1ADH1B
SCHEMBL22551588 0.84 TP53 (0.42) CA2CA1PPARAEPHX1ADH1B

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-1276483-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-01-22 EP disclosed
WO-2000064420-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-11-02 WO disclosed