SCHEMBL7112854

SCHEMBL7112854

CCC1(C)OC(=O)C(c2ccc(F)c(F)c2)=C1c1ccc(S(=O)(=O)S(C)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.59
PTGS1 P23219 10/20 0.48

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
SCHEMBL4211457 0.91 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8081775 0.91 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8075229 0.91 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8080213 0.88 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8067207 0.82 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8089815 0.79 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8076981 0.79 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL8076878 0.78 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8076957 0.78 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8067255 0.78 PTGS2 (0.70) 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-1480637-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BISPHOSPHONATE AND A COX-2 INHIBITOR FOR THE TREATMENT OF BONE DISEASES Novartis AG (CH) 2004-12-01 EP disclosed
WO-2003072097-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BISPHOSPHONATE AND A COX-2 INHIBITOR FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2003-09-04 WO disclosed