SCHEMBL10589348

SCHEMBL10589348

NS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CO)cc2)s1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.59
CA1 P00915 3/20 0.59
CA12 O43570 2/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 2/20 0.59
CA5A P35218 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
LOX P28300 7/20 0.46
LOXL2 Q9Y4K0 2/20 0.43
MAOA P21397 1/20 0.41

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
SCHEMBL9827924 0.85 CA2 (0.58) CA2CA1CA12CA4CA6
SCHEMBL9830538 0.83 CA2 (0.49) CA2CA1CA12CA5ACA7
SCHEMBL9831469 0.81 CA2 (0.63) CA2CA1CA12CA7CA9
SCHEMBL9830450 0.80 CA2 (0.65) CA2CA1CA12CA4CA6
SCHEMBL156259 0.80 CA2 (0.67) CA2CA1CA12CA4CA6
SCHEMBL9830819 0.80 CA2 (0.67) CA2CA1CA12CA9LOX
SCHEMBL9828579 0.78 CA2 (0.54) CA2CA1CA12CA4LOX
SCHEMBL9828464 0.78 CA2 (0.54) CA2CA1CA12CA5ACA9
SCHEMBL9828663 0.77 CA2 (0.63) CA2CA1CA12CA6CA5A
SCHEMBL9235944 0.77 LOX (0.61) CA2CA1CA12CA4CA6

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
EP-0341961-A2 Polymalonic acids as boneaffinity agents MERCK & CO. INC. (US) 1989-11-15 EP disclosed