SCHEMBL8551014

SCHEMBL8551014

COc1cc(-c2coc(Cc3ccccc3)n2)cc(OC)c1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.41
TP53 P04637 2/20 0.41
PTGS1 P23219 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 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
SCHEMBL8551144 0.92 ERN1 (0.42) PTGS2TP53PTGS1
SCHEMBL8551018 0.87 PTGS2 (0.41) PTGS2TP53PTGS1
SCHEMBL8548972 0.87 PTGS2 (0.42) PTGS2TP53PTGS1
SCHEMBL8551030 0.85 TP53 (0.43) PTGS2TP53PTGS1LMNATHRB
SCHEMBL9098556 0.84 PTGS2 (0.38) PTGS2TP53PTGS1ITGB1ITGA4
SCHEMBL8549867 0.84 PTGS2 (0.38) PTGS2TP53PTGS1ITGB1ITGA4
SCHEMBL8551146 0.82 PTGS2 (0.40) PTGS2TP53PTGS1
SCHEMBL8551355 0.80 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8548704 0.79 PTGS2 (0.43) PTGS2TP53PTGS1
SCHEMBL8552226 0.79 PTGS2 (0.47) PTGS2TP53PTGS1POLBLMNA

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