SCHEMBL4583529

SCHEMBL4583529

Cc1ccc(C2=C(c3c(Cl)cccc3Cl)C(=O)OC2(C)O)nc1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.37
PTGS1 P23219 4/20 0.37
HSP90AA1 P07900 1/20 0.32
TSHR P16473 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
SCHEMBL4582636 0.85 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL4583198 0.73 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL1868853 0.65 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL4583147 0.65 DRD1 (0.38)
SCHEMBL2350613 0.62 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL4582575 0.60 PTGS2 (0.51) PTGS2PTGS1HSP90AA1
SCHEMBL25999784 0.60 NOS3 (0.48)
SCHEMBL4583693 0.59 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL3071714 0.59 NOS3 (0.55) TSHR
SCHEMBL2349594 0.58 PTGS2 (0.58) 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