SCHEMBL6570217

SCHEMBL6570217

CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4491300 0.87 ATF4 (0.32)
SCHEMBL12269385 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6573374 0.85 ALDH1A1 (0.43) SCN9AALDH1A1MEN1KMT2A
SCHEMBL14668722 0.82 HPD (0.34)
SCHEMBL12770863 0.82 HPD (0.36)
SCHEMBL6571052 0.81 SCN9A (0.36) SCN9AALDH1A1
SCHEMBL6571078 0.81 HRH3 (0.34)
SCHEMBL5605437 0.80 HPD (0.35)
SCHEMBL4906207 0.80 HPD (0.31)
Tembotrione SCHEMBL3225813 0.80 HPD (0.38) ALDH1A1MEN1KMT2A

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
EP-1117639-B1 BENZOYLCYCLOHEXANDIONES, METHOD FOR THE PRODUCTION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2004-12-15 EP disclosed
US-6376429-B1 CONTROLLING WEEDS HOECHST SCHERING AGREVO GMBH (DE) 2002-04-23 US disclosed
EP-1117639-A1 BENZOYLCYCLOHEXANDIONES, METHOD FOR THE PRODUCTION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-07-25 EP disclosed
WO-2000021924-A1 BENZOYLCYCLOHEXANDIONES, METHOD FOR THE PRODUCTION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2000-04-20 WO disclosed