SCHEMBL6683202

SCHEMBL6683202

O=C(O)O[C@H]1Cc2cc(Cl)c(Cl)c(Cl)c2O[C@H]1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 13/20 0.41
PTGS2 P35354 13/20 0.41

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
SCHEMBL6685269 0.85 PTGS2 (0.44) PTGS1PTGS2
SCHEMBL6412274 0.81 PTGS2 (0.44) PTGS1PTGS2
SCHEMBL6410754 0.81 PTGS2 (0.44) PTGS1PTGS2
SCHEMBL6680241 0.80 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL6684142 0.77 PTGS2 (0.39) PTGS1PTGS2
SCHEMBL6684596 0.76 PTGS2 (0.46) PTGS1PTGS2
SCHEMBL6683777 0.75 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL6681124 0.72 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL6405611 0.71 PTGS1 (0.39) PTGS1PTGS2
SCHEMBL6404161 0.71 PTGS1 (0.39) PTGS1PTGS2

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
EP-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 EP claimed