SCHEMBL8551221

SCHEMBL8551221

NS(=O)(=O)c1ccc(-c2cccc(-c3coc(CC(=O)O)n3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.51
CA9 Q16790 16/20 0.51
CA12 O43570 12/20 0.51
CA1 P00915 16/20 0.45
CA7 P43166 1/20 0.43
PTGS2 P35354 1/20 0.41
AKR1B1 P15121 1/20 0.40
CA14 Q9ULX7 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL5763086 0.87 CA2 (0.47) CA2CA9CA12CA1CA7
SCHEMBL8149304 0.82 CA2 (0.55) CA2CA9CA12CA1CA7
SCHEMBL8153130 0.80 CA2 (0.55) CA2CA9CA12CA1CA7
SCHEMBL13335153 0.77 AKR1B1 (0.59) AKR1B1
SCHEMBL5761886 0.76 CA2 (0.46) CA2CA9CA12CA1CA7
SCHEMBL8152917 0.76 PTGS2 (0.42) PTGS2
SCHEMBL15560613 0.74 CA2 (0.62) CA2CA9CA12CA1CA14
SCHEMBL6758639 0.71 AKR1B1 (0.50) AKR1B1
SCHEMBL8146467 0.71 CA2 (0.53) CA2CA9CA12CA1CA7
SCHEMBL8138559 0.70 PTGS2 (0.47) PTGS2

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-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed