3,6 Dichloromethoxybenzoic Acid

3,6 Dichloromethoxybenzoic Acid

SCHEMBL20723769

COc1c(Cl)ccc(Cl)c1C(=O)O.COc1cc(OC)n2nc(NS(=O)(=O)c3c(C(F)(F)F)ccnc3OC)nc2n1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G7 Q13093 1/20 0.32
CCR9 P51686 1/20 0.32
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
MAPK10 P53779 1/20 0.30
PDE4B Q07343 1/20 0.30

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
Quinmerac SCHEMBL20723777 0.92 SLC40A1 (0.31) KDM4EALDH1A1HSD17B10
Triclopyr SCHEMBL20723772 0.92 KDM4E (0.30) KDM4EALDH1A1HSD17B10
Quinclorac SCHEMBL20723800 0.89 ALK (0.32)
SCHEMBL29353910 0.88 SLC22A12 (0.37) SCN9ASLC22A12
SCHEMBL16679050 0.88 SLC22A12 (0.37) SCN9ASLC22A12
SCHEMBL95924 0.88 SLC22A12 (0.37) SCN9ASLC22A12
Quinmerac SCHEMBL20723807 0.88 SLC40A1 (0.32)
SCHEMBL2369194 0.88 SLC22A12 (0.36) SCN9ASLC22A12
Quinmerac SCHEMBL20723758 0.86 SLC40A1 (0.31)
Triclopyr SCHEMBL20723759 0.85 SCN9A (0.31) SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3664609-A1 SYNERGISTIC HERBICIDAL COMBINATIONS UPL Ltd (IN) 2020-06-17 EP disclosed
WO-2019030614-A1 SYNERGISTIC HERBICIDAL COMBINATIONS UPL LTD (IN) 2019-02-14 WO disclosed