SCHEMBL8550177

SCHEMBL8550177

CS(=O)(=O)c1ccc(-c2ccc(Cl)c(-c3coc(Cc4ccccc4)n3)c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.42
PTGS1 P23219 2/20 0.42
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL8550175 0.84 PTGS2 (0.42) PTGS2PTGS1ALDH1A1LMNAMAPT
SCHEMBL8551030 0.82 TP53 (0.43) PTGS2PTGS1LMNATP53
SCHEMBL8551034 0.82 PTGS2 (0.42) PTGS2PTGS1ALDH1A1LMNAMAPT
SCHEMBL8552226 0.80 PTGS2 (0.47) PTGS2PTGS1LMNATP53
SCHEMBL8551146 0.79 PTGS2 (0.40) PTGS2PTGS1TP53
SCHEMBL8552225 0.79 PTGS2 (0.46) PTGS2PTGS1TP53
SCHEMBL8546693 0.79 PTGS2 (0.46) PTGS2PTGS1TP53
SCHEMBL8547371 0.79 PTGS2 (0.47) PTGS2PTGS1LMNATP53
SCHEMBL8546636 0.78 PTGS2 (0.40) PTGS2PTGS1LMNATP53
SCHEMBL8547373 0.77 PTGS2 (0.46) PTGS2PTGS1LMNATP53

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