SCHEMBL6680241

SCHEMBL6680241

O=C(O)O[C@H]1Cc2c(cc(Cl)c(Cl)c2Cl)O[C@H]1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.41
PTGS1 P23219 8/20 0.41
HSP90AB1 P08238 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL6681124 0.85 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6406952 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6407339 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6683202 0.80 PTGS1 (0.41) PTGS2PTGS1
SCHEMBL6684142 0.77 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL6683777 0.75 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6684596 0.74 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6685269 0.72 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6682272 0.68 PTGS1 (0.46) PTGS2PTGS1
SCHEMBL6680877 0.68 PTGS2 (0.45) 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
EP-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 EP claimed