SCHEMBL9812291

SCHEMBL9812291

NCC(=O)NCC(=O)O.[Fe]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.45
SLC6A9 P48067 1/20 0.45
OR51E2 Q9H255 1/20 0.45
ALDH1A1 P00352 5/20 0.39
EGLN1 Q9GZT9 2/20 0.39
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
FAAH O00519 5/20 0.37
TERT O14746 1/20 0.37
MMP2 P08253 1/20 0.36
PTPN1 P18031 1/20 0.36
CTH P32929 1/20 0.36

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
SCHEMBL14934 0.97
SCHEMBL19434714 0.97 GLRA1 (0.47) GLRA1SLC6A9OR51E2ALDH1A1EGLN1
SCHEMBL29952010 0.97
SCHEMBL29749319 0.95 GLRA1 (0.45) GLRA1SLC6A9OR51E2ALDH1A1EGLN1
Glycine SCHEMBL1234586 0.95 GLRA1 (0.53) GLRA1SLC6A9OR51E2ALDH1A1EGLN1
Water SCHEMBL28405902 0.95 GLRA1 (0.45) GLRA1SLC6A9OR51E2ALDH1A1EGLN1
SCHEMBL11249096 0.95 GLRA1 (0.45) GLRA1SLC6A9OR51E2ALDH1A1EGLN1
Bicarbonate SCHEMBL7624841 0.95 GLRA1 (0.45) GLRA1SLC6A9OR51E2ALDH1A1EGLN1
Glycine SCHEMBL1626730 0.95 GLRA1 (0.53) GLRA1SLC6A9OR51E2ALDH1A1EGLN1
Hydrochloric Acid SCHEMBL2452130 0.95 GLRA1 (0.45) GLRA1SLC6A9OR51E2ALDH1A1EGLN1

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
JP-3201981-A None JP disclosed
JP-H03201981-A PREPARATION OF SERUM-FREE MEDIUM FOR CELL CULTURE AJINOMOTO CO INC 1991-09-03 JP disclosed