SCHEMBL4583796

SCHEMBL4583796

CC1(O)OC(=O)C(c2cccc(Cl)c2)=C1c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.52
PTGS1 P23219 3/20 0.44
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G1B P04054 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
PGR P06401 1/20 0.38
MAPK14 Q16539 1/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4591894 0.83 PTGS2 (0.44) PTGS2PTGS1PGR
SCHEMBL4583198 0.81 PTGS2 (0.52) PTGS2PTGS1MAPTALDH1A1KDM4E
SCHEMBL2454166 0.79 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL4582575 0.78 PTGS2 (0.51) PTGS2PTGS1MAPTKMT2AALDH1A1
SCHEMBL4583216 0.76 PTGS2 (0.52) PTGS2PTGS1MEN1KMT2A
SCHEMBL4582348 0.75 PTGS2 (0.47) PTGS2PTGS1MAPTALDH1A1KDM4E
SCHEMBL4607900 0.75 PTGS2 (0.57) PTGS2PTGS1MAPTMEN1KMT2A
SCHEMBL3617636 0.74 PTGS2 (0.50) PTGS2PTGS1MAPTALDH1A1KDM4E
SCHEMBL4583426 0.72 PTGS2 (0.51) PTGS2PTGS1MAPTMEN1KMT2A
SCHEMBL2349582 0.71 PTGS2 (0.49) 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 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