SCHEMBL8289278

SCHEMBL8289278

O=C(O)C1=Cc2cc(Cl)c(Oc3ccc(I)cc3)cc2OC1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.63
PTGS1 P23219 13/20 0.63

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
SCHEMBL6104841 0.91 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6104837 0.91 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6104518 0.90 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5767228 0.90 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6104524 0.90 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6103480 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6107414 0.90 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5648617 0.89 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6104297 0.89 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6106574 0.89 PTGS2 (0.67) 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-2005037193-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR ADMINISTERED UNDER HYPOTHERMIC CONDITIONS FOR THE TREATMENT OF ISCHEMIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed