SCHEMBL8936702

SCHEMBL8936702

CCC(C)OC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1.COc1cc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CDK1 P06493 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL119097 0.88 GAA (0.52) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL29371340 0.88 GAA (0.52) GAAALDH1A1KDM4ENPC1CDK1
Chlorimuron Ethyl SCHEMBL9422513 0.88 ALDH1A1 (0.45) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL10758377 0.88 GAA (0.47) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL10341393 0.84 GAA (0.52) GAAALDH1A1KDM4ENPC1CDK1
Chlorimuron Ethyl SCHEMBL20214247 0.84 ALDH1A1 (0.48) GAAALDH1A1KDM4ENPC1CDK1
Chlorimuron Ethyl SCHEMBL29370868 0.84 ALDH1A1 (0.48) GAAALDH1A1KDM4ENPC1CDK1
Chlorimuron Ethyl SCHEMBL54938 0.84 ALDH1A1 (0.48) GAAALDH1A1KDM4ENPC1CDK1
Chlorimuron Ethyl SCHEMBL9141286 0.84 ALDH1A1 (0.48) GAAALDH1A1KDM4ENPC1CDK1
Chlorimuron Ethyl SCHEMBL20723617 0.83 ALDH1A1 (0.47) GAAALDH1A1KDM4ENPC1CDK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5562914-A FOR CONTROLLED RELEASE OF ACTIVE MATERIAL THROUGH POLYURETHANE MATRIX ZENECA INC. (US) 1996-10-08 US disclosed
US-4957538-A HERBICIDES ICI AMERICAS INC. (US) 1990-09-18 US disclosed
US-4925479-A HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
US-4869748-A HERBICIDES ICI AMERICAS INC. (US) 1989-09-26 US disclosed