SCHEMBL31337705

SCHEMBL31337705

CC(=O)CC(=O)ONCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
EGLN1 Q9GZT9 3/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
CTH P32929 1/20 0.37
LMNA P02545 2/20 0.33
SLC15A2 Q16348 1/20 0.33
TSHR P16473 1/20 0.32
APEX1 P27695 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
PTGS2 P35354 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
SCHEMBL7168792 0.78
SCHEMBL7055838 0.72
SCHEMBL3203550 0.71 ALDH1A1 (0.46) EGLN1CTHTSHRAPEX1ALDH1A1
SCHEMBL27796767 0.71 MGAM (0.46) MGAMGAASIMGAM2KDM4E
SCHEMBL28761598 0.70
SCHEMBL17439186 0.69 MGAM (0.55) MGAMGAASIMGAM2EGLN1
Acetoacetic Acid SCHEMBL3628051 0.69 MGAM (0.79) MGAMGAASIMGAM2EGLN1
SCHEMBL9278854 0.69 MGAM (0.55) MGAMGAASIMGAM2EGLN1
SCHEMBL28157242 0.67
SCHEMBL2701192 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080632-A Method for synthesizing acetylglycine from acetylglucosamine 重庆工商大学 2024-12-06 CN disclosed