Tembotrione

Tembotrione

SCHEMBL170587

CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1.CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC(F)(F)F.CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC1CCCO1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 4/20 0.32
ADRB2 P07550 1/20 0.31
MAPK1 P28482 2/20 0.31
GAA P10253 2/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL14655293 0.89 KDM4E (0.32) KDM4EALDH1A1GAA
Tembotrione SCHEMBL170254 0.88 EGFR (0.30)
Tembotrione SCHEMBL170538 0.87
Tembotrione SCHEMBL2418746 0.86
Tembotrione SCHEMBL170273 0.85
Tembotrione SCHEMBL169933 0.84 KDM4E (0.40) KDM4EALDH1A1ADRB2MAPK1
Tembotrione SCHEMBL167368 0.84
Tembotrione SCHEMBL170539 0.80
SCHEMBL118936 0.79 OXTR (0.36) KDM4EALDH1A1ADRB2MAPK1L3MBTL1
Tembotrione SCHEMBL168161 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673814-B2 Synergistic combinations which are compatible with cultivated plants and which comprise herbicides selected from the group consisting of benzoylcyclohexanediones for use in rice crops BAYER CROPSCIENCE AG (DE) 2014-03-18 US disclosed
US-20120058894-A1 SYNERGISTIC COMBINATIONS WHICH ARE COMPATIBLE WITH CULTIVATED PLANTS AND WHICH COMPRISE HERBICIDES SELECTED FROM THE GROUP CONSISTING OF BENZOYLCYCLOHEXANEDIONES FOR USE IN RICE CROPS BAYER CROPSCIENCE AG (DE) 2012-03-08 US disclosed
US-20080318786-A1 SYNERGISTIC COMBINATIONS WHICH ARE COMPATIBLE WITH CULTIVATED PLANTS AND WHICH COMPRISE HERBICIDES SELECTED FROM THE GROUP CONSISTING OF BENZOYLCYCLOHEXANEDIONES FOR USE IN RICE CROPS BAYER CROPSCIENCE AG (DE) 2008-12-25 US disclosed