SCHEMBL8311314

SCHEMBL8311314

C[S+]([O-])c1ccc(C2=C(Oc3ccncc3)C(=O)OC2(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.70
PTGS1 P23219 10/20 0.54

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
SCHEMBL6064365 0.80 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7049189 0.70 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7486869 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5210855 0.68 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5207855 0.68 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7256774 0.67 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5207098 0.66 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7487520 0.65 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5205329 0.64 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5208892 0.64 PTGS2 (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904269-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-03-31 EP disclosed
WO-1997016435-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-05-09 WO disclosed