SCHEMBL4584165

SCHEMBL4584165

CC1(O)OC(=O)C(c2ccc(F)cc2Cl)=C1c1ccc(Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.47
PTGS1 P23219 4/20 0.40
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
GSK3B P49841 1/20 0.31
HSD11B1 P28845 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
SCHEMBL4581586 0.89 PTGS2 (0.39) PTGS2PTGS1CA1CA2CA7
SCHEMBL4582564 0.84 PTGS2 (0.43) PTGS2PTGS1GSK3B
SCHEMBL4582348 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4582869 0.84 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL4583119 0.82 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL15626309 0.81 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL4582842 0.78 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL4583249 0.78 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL4582558 0.76 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL4591894 0.75 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