SCHEMBL8551541

SCHEMBL8551541

NS(=O)(=O)c1ccc(-c2c(CC(=O)O)noc2-c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.48
PTGS1 P23219 8/20 0.48
CA2 P00918 2/20 0.43
SOS1 Q07889 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
S1PR1 P21453 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
SCHEMBL8548917 0.87 MAOA (0.45) PTGS2PTGS1CA2CA12CA1
SCHEMBL8593289 0.83 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6169911 0.82 PTGS2 (0.53) PTGS2PTGS1CA2CA12CA1
SCHEMBL5822486 0.79 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL5733857 0.77 NR4A2 (0.50) PTGS2PTGS1CA2SOS1CA12
SCHEMBL8477368 0.73 PTGS2 (0.57) PTGS2PTGS1CA2CA12CA1
SCHEMBL8474970 0.72 PTGS2 (0.58) PTGS2PTGS1CA2CA12CA1
SCHEMBL6167944 0.72 PTGS2 (0.46) PTGS2PTGS1CA2CA12CA1
SCHEMBL6172024 0.72 PTGS2 (0.54) PTGS2PTGS1CA2CA12CA1
SCHEMBL6169873 0.71 PTGS2 (0.51) PTGS2PTGS1CA2CA12CA1

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