SCHEMBL4583198

SCHEMBL4583198

CC1(O)OC(=O)C(c2c(Cl)cccc2Cl)=C1c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.52
PTGS1 P23219 4/20 0.39
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TYMP P19971 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4582575 0.86 PTGS2 (0.51) PTGS2PTGS1MAPTKDM4ENPC1
SCHEMBL4583216 0.84 PTGS2 (0.52) PTGS2PTGS1LPLLIPG
SCHEMBL4583796 0.81 PTGS2 (0.52) PTGS2PTGS1MAPTKDM4EALDH1A1
SCHEMBL3617636 0.80 PTGS2 (0.50) PTGS2PTGS1MAPTKDM4EALDH1A1
SCHEMBL4582348 0.78 PTGS2 (0.47) PTGS2PTGS1MAPTKDM4ENPC1
SCHEMBL4607900 0.78 PTGS2 (0.57) PTGS2PTGS1MAPTKDM4ENPC1
SCHEMBL2454166 0.76 PTGS2 (0.72) PTGS2PTGS1LPLLIPG
SCHEMBL4583426 0.75 PTGS2 (0.51) PTGS2PTGS1MAPT
SCHEMBL4581906 0.71 PTGS2 (0.47) PTGS2PTGS1MAPT
SCHEMBL4582564 0.68 PTGS2 (0.43) 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