SCHEMBL4582869

SCHEMBL4582869

CC1(O)OC(=O)C(c2cc(F)c(F)cc2F)=C1c1ccc(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.41
PTGS1 P23219 4/20 0.41
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 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
SCHEMBL4583119 0.87 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL4584165 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL15626309 0.83 PTGS2 (0.41) PTGS2PTGS1HCAR3HCAR2
SCHEMBL4581586 0.82 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL4582564 0.81 PTGS2 (0.43) PTGS2PTGS1HCAR3HCAR2
SCHEMBL4583249 0.80 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL3980401 0.79 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL4582842 0.78 PTGS2 (0.39) PTGS2PTGS1HCAR3HCAR2
SCHEMBL4582558 0.77 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL4591894 0.77 PTGS2 (0.44) 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-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed