SCHEMBL6684142

SCHEMBL6684142

O=C(O)O[C@H]1Cc2c(Cl)ccc(Cl)c2O[C@H]1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.39
PTGS1 P23219 10/20 0.39
P2RY6 Q15077 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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 0.82 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6405338 0.80 PTGS2 (0.41) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6412275 0.80 PTGS2 (0.41) PTGS2PTGS1MEN1POLBKMT2A
SCHEMBL6683202 0.77 PTGS1 (0.41) PTGS2PTGS1
SCHEMBL6685269 0.77 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6680241 0.77 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6683777 0.72 PTGS2 (0.41) PTGS2PTGS1P2RY6MEN1KMT2A
SCHEMBL6684596 0.69 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6682272 0.65 PTGS1 (0.46) PTGS2PTGS1MEN1KMT2A
SCHEMBL6680877 0.64 PTGS2 (0.45) PTGS2PTGS1P2RY6

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