SCHEMBL6436773

SCHEMBL6436773

CCS(=O)(=O)c1ccc(C2=C(c3ccc(OC)c(Cl)c3)CC3(CC3)C2)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.78
PTGS1 P23219 13/20 0.77

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
SCHEMBL8385197 0.91 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL215587 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL214134 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8387322 0.85 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8384811 0.84 PTGS2 (0.75) PTGS2PTGS1
Sulfamide SCHEMBL4639820 0.82 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8383820 0.80 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8386114 0.78 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8384874 0.78 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8389222 0.78 PTGS2 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833622-B8 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-10-12 EP claimed
EP-0833622-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1998-04-08 EP claimed
WO-1996041626-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed