SCHEMBL7263282

SCHEMBL7263282

CCC1(C)OC(=O)C(Oc2ccc(C)cc2)=C1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.74
PTGS1 P23219 10/20 0.60

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
SCHEMBL5208423 0.91 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5205192 0.91 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5202982 0.90 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5207049 0.90 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL5202961 0.90 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL5208443 0.85 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL5742230 0.84 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5208069 0.84 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5207201 0.82 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5210571 0.82 PTGS2 (0.63) 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
WO-2003039542-A1 COMBINATION THERAPY FOR TREATING ALZHEIMER'S DISEASE MERCK & CO. INC. (US) 2003-05-15 WO disclosed