SCHEMBL8551144

SCHEMBL8551144

COc1cc(-c2ccc(S(C)(=O)=O)cc2)cc(OC)c1-c1coc(Cc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.42
PTGS2 P35354 12/20 0.41
PTGS1 P23219 2/20 0.40
TP53 P04637 1/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PDE4D Q08499 2/20 0.37
FYN P06241 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8551014 0.92 PTGS2 (0.41) PTGS2PTGS1TP53
SCHEMBL8548972 0.89 PTGS2 (0.42) ERN1PTGS2PTGS1TP53FYN
SCHEMBL8551018 0.85 PTGS2 (0.41) PTGS2PTGS1TP53
SCHEMBL8550175 0.85 PTGS2 (0.42) PTGS2PTGS1TP53NR1H2NR1H3
SCHEMBL8551146 0.84 PTGS2 (0.40) PTGS2PTGS1TP53FYN
SCHEMBL9098556 0.82 PTGS2 (0.38) PTGS2PTGS1TP53FYN
SCHEMBL8549867 0.82 PTGS2 (0.38) PTGS2PTGS1TP53
SCHEMBL8551355 0.80 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8548704 0.79 PTGS2 (0.43) PTGS2PTGS1TP53
SCHEMBL8551030 0.79 TP53 (0.43) PTGS2PTGS1TP53

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