Methyl 3,5-Dimethoxybenzoate

Methyl 3,5-Dimethoxybenzoate

SCHEMBL7801783

[2H]C([2H])([2H])OC(=O)c1cc(OC)cc(OC)c1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
KDM4E B2RXH2 5/20 0.47
GAA P10253 4/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALPL P05186 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44

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
Methyl 3,5-Dimethoxybenzoate SCHEMBL204865 0.87 CA1 (0.61) CA1CA2KDM4EGAAPOLB
SCHEMBL475746 0.83 CA1 (0.61) CA1CA2KDM4EGAAPOLB
Methyl 3,5-Dimethoxybenzoate SCHEMBL7797273 0.79 KMT2A (0.41) KDM4EGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL16533898 0.77 CA1 (0.50) CA1CA2KDM4EGAAPOLB
SCHEMBL9970808 0.77 KMT2A (0.53) KDM4EGAAPOLBSMN1; SMN2ALDH1A1
SCHEMBL7954384 0.77 ALDH1A1 (0.50) CA1CA2KDM4EGAASMN1; SMN2
SCHEMBL12744132 0.77 KDM4E (0.62) CA1CA2KDM4ESMN1; SMN2HPGD
SCHEMBL11264625 0.76 CA1 (0.53) CA1CA2KDM4EGAAPOLB
SCHEMBL55814 0.76 CA1 (0.73) CA1CA2KDM4EGAAPOLB
SCHEMBL56890 0.76 KDM4E (0.55) CA1CA2KDM4EGAAPOLB

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-1162885-A1 USE FOR CONIFER SAPLING PROTECTION Nordlander, Göran (SE) 2001-12-19 EP disclosed
WO-2000056152-A1 USE FOR CONIFER SAPLING PROTECTION ROBIGUS AB (SE) 2000-09-28 WO disclosed