Methyl 3,5-Dimethoxybenzoate

Methyl 3,5-Dimethoxybenzoate

SCHEMBL7797273

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

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 1/20 0.35
BRAF P15056 1/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7791051 0.91 KMT2A (0.44) KMT2AMEN1ALDH1A1PKMSMN1; SMN2
SCHEMBL7791055 0.91 KMT2A (0.44) KMT2AMEN1ALDH1A1PKMSMN1; SMN2
Methyl 3,5-Dimethoxybenzoate SCHEMBL7801783 0.79 CA1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2767817 0.77 MAPT (0.54) KMT2AMEN1ALDH1A1PKMSMN1; SMN2
SCHEMBL2767815 0.77 MAPT (0.54) KMT2AMEN1ALDH1A1PKMSMN1; SMN2
SCHEMBL11236182 0.74 SERPINE1 (0.53) KMT2AMEN1ALDH1A1PKMSMN1; SMN2
SCHEMBL8641536 0.73 KDM4E (0.55) KMT2AMEN1ALDH1A1PKMSMN1; SMN2
SCHEMBL4734240 0.73 SERPINE1 (0.64) L3MBTL1KDM4EGAAPOLB
SCHEMBL11679863 0.72 KMT2A (0.46) KMT2AMEN1ALDH1A1PKMSMN1; SMN2
SCHEMBL28583778 0.70 ESR1 (0.63) KMT2ASMN1; SMN2L3MBTL1TSHRPDE4D

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 claimed
WO-2000056152-A1 USE FOR CONIFER SAPLING PROTECTION ROBIGUS AB (SE) 2000-09-28 WO claimed