SCHEMBL6571052

SCHEMBL6571052

CS(=O)(=O)c1ccc(C(=O)OC2=CC(=O)CCC2)c(Cl)c1COC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
ALDH1A1 P00352 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
SCHEMBL4504247 0.88 MDM2 (0.30)
SCHEMBL7655253 0.82 MAPT (0.36) ALDH1A1
SCHEMBL6570217 0.81 SCN9A (0.38) SCN9AALDH1A1
SCHEMBL28566393 0.81
SCHEMBL29033178 0.81 MAPT (0.31)
SCHEMBL6573374 0.81 ALDH1A1 (0.43) SCN9AALDH1A1
SCHEMBL30230026 0.78 L3MBTL1 (0.35) ALDH1A1
SCHEMBL22859728 0.76 RORC (0.31)
SCHEMBL6326063 0.76
SCHEMBL28519706 0.76 SLC6A9 (0.39) ALDH1A1

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