SCHEMBL4582564

SCHEMBL4582564

CC1(O)OC(=O)C(c2ccccc2Cl)=C1c1ccc(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.43
PTGS1 P23219 4/20 0.38
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PGR P06401 1/20 0.33
STK10 O94804 2/20 0.32
SLK Q9H2G2 2/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GSK3B P49841 1/20 0.32

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 0.88 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL4582842 0.86 PTGS2 (0.39) PTGS2PTGS1HCAR3HCAR2
SCHEMBL4584165 0.84 PTGS2 (0.47) PTGS2PTGS1GSK3B
SCHEMBL4582575 0.82 PTGS2 (0.51) PTGS2PTGS1HSP90AA1HSP90AB1PGR
SCHEMBL4582869 0.81 PTGS2 (0.41) PTGS2PTGS1HCAR3HCAR2
SCHEMBL4583249 0.81 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL4582558 0.80 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL4607900 0.80 PTGS2 (0.57) PTGS2PTGS1HCAR3HCAR2
SCHEMBL4581586 0.78 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL4591894 0.78 PTGS2 (0.44) PTGS2PTGS1PGR

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 2 patents. 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
EP-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed