SCHEMBL4583249

SCHEMBL4583249

CC1(O)OC(=O)C(c2c(F)cccc2Cl)=C1c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.40
PTGS1 P23219 2/20 0.40
PTGES O14684 2/20 0.33
GNRHR P30968 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPBAR1 Q8TDU6 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
SCHEMBL4582842 0.92 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL15626309 0.85 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL4582396 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4583119 0.83 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL4582564 0.81 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL4582869 0.80 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL4584165 0.78 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL4591894 0.76 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL4607900 0.76 PTGS2 (0.57) PTGS2PTGS1ALDH1A1HSD17B10
SCHEMBL1868853 0.75 PTGS2 (0.46) PTGS2PTGS1PTGES

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