SCHEMBL6552489

SCHEMBL6552489

CN(CCO)C(CO)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
OR51E2 Q9H255 1/20 0.33
SLC6A9 P48067 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL30854460 1.00 MAPT (0.36) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29750716 0.84 CHRM1 (0.34) OR51E2SLC6A9
SCHEMBL28376043 0.84 CHRNB2 (0.37) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12534416 0.83 TDP1 (0.36) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10207227 0.79 OR51E2 (0.35) OR51E2
SCHEMBL10207203 0.79 OR51E2 (0.35) OR51E2
SCHEMBL8948276 0.76 OR51E2 (0.36) OR51E2
SCHEMBL22645617 0.76 OR51E2 (0.36) OR51E2
SCHEMBL14930546 0.76 CA12 (0.35) OR51E2
SCHEMBL331728 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070045-B1 METHODS FOR THE PREPARATION OF AN N-BIS- 2-(1,2-DICARBOXY-ETHOXY)-ETHYL]AMINE DERIVATIVE AND PRODUCTS OF THE METHODS AND THEIR USES KEMIRA CHEMICALS OY (FI) 2004-02-18 EP disclosed
EP-1070045-A1 METHODS FOR THE PREPARATION OF AN N-BIS- 2-(1,2-DICARBOXY-ETHOXY)-ETHYL]AMINE DERIVATIVE AND PRODUCTS OF THE METHODS AND THEIR USES KEMIRA CHEMICALS OY (FI) 2001-01-24 EP disclosed
WO-1999046234-A1 METHODS FOR THE PREPARATION OF AN N-BIS-[2-(1,2-DICARBOXY-ETHOXY)-ETHYL]AMINE DERIVATIVE AND PRODUCTS OF THE METHODS AND THEIR USES KEMIRA CHEMICALS OY (FI) 1999-09-16 WO disclosed