Dimethylcarbate

Dimethylcarbate

SCHEMBL7633232

CN(C)C(=O)[O-].COS(=O)(=O)Oc1cccc([N+](C)(C)C)c1

nearest known ligand 0.62

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.62
BCHE P06276 4/20 0.62
LMNA P02545 3/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
STS P08842 3/20 0.35
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 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
Dimethylcarbate SCHEMBL131467 0.77 ACHE (0.63) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL41903 0.76 ACHE (1.00) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL7105728 0.74 ACHE (0.87) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL11663910 0.73 ACHE (0.84) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL41902 0.73 ACHE (0.85) ACHEBCHELMNAMEN1KMT2A
Trimethylammonium SCHEMBL4404158 0.72 ACHE (0.56) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL7633009 0.72 ACHE (0.88) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL7576189 0.72 ACHE (0.94) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL2028206 0.71 ACHE (0.89) ACHEBCHELMNAMEN1KMT2A
Neostigmine SCHEMBL9987576 0.71 ACHE (0.86) ACHEBCHELMNAMEN1KMT2A

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
US-20020009476-A1 Water soluble polyalkylene glycol BELL THOMAS A (US) 2002-01-24 US disclosed
WO-1999029174-A1 COMPOSITIONS AND METHODS FOR CONTROLLING ECTOPARASITIC INSECTS BELL THOMAS A (US) 1999-06-17 WO disclosed