SCHEMBL4583216

SCHEMBL4583216

CC1(O)OC(=O)C(c2c(F)cccc2F)=C1c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.52
PTGS1 P23219 4/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ERN1 O75460 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
SCHEMBL4582396 0.92 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL3617636 0.90 PTGS2 (0.50) PTGS2PTGS1ERN1
SCHEMBL4583426 0.86 PTGS2 (0.51) PTGS2PTGS1MEN1KMT2A
SCHEMBL4583198 0.84 PTGS2 (0.52) PTGS2PTGS1LPLLIPG
SCHEMBL10015964 0.78 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA7
SCHEMBL4583693 0.77 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA7
SCHEMBL4583796 0.76 PTGS2 (0.52) PTGS2PTGS1MEN1KMT2A
SCHEMBL4582348 0.76 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4581906 0.76 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA7
SCHEMBL4582575 0.75 PTGS2 (0.51) PTGS2PTGS1KMT2A

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