SCHEMBL8551355

SCHEMBL8551355

COc1ccc(-c2coc(Cc3ccccc3)n2)c(-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.50
PTGS1 P23219 2/20 0.43
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL8546693 0.87 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8551018 0.85 PTGS2 (0.41) PTGS2PTGS1S1PR1S1PR3
SCHEMBL8548972 0.85 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL8548704 0.84 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8552225 0.82 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8547371 0.82 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8552226 0.81 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8547373 0.81 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL9098556 0.80 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL8551146 0.80 PTGS2 (0.40) PTGS2PTGS1

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