SCHEMBL9752076

SCHEMBL9752076

CCOC(CC)(OC(=O)CC(=O)O)OC(=O)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31

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
SCHEMBL22630894 0.85 HPGD (0.32) GAA
SCHEMBL9777751 0.84 MGAM (0.43) MGAMGAASIMGAM2
SCHEMBL440012 0.79 MGAM (0.36) MGAMGAASIMGAM2LDHA
SCHEMBL16166684 0.79 ALDH1A1 (0.31)
SCHEMBL6276285 0.78 GAA (0.34) MGAMGAASIMGAM2LDHA
SCHEMBL2710907 0.76 LDHA (0.38) MGAMGAASIMGAM2LDHA
SCHEMBL10612912 0.76 TSHR (0.42)
SCHEMBL22607714 0.74
SCHEMBL2967817 0.74 LDHA (0.36) MGAMGAASIMGAM2LDHA
SCHEMBL10612910 0.73 DGKA (0.36) GAA

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-3027389-A None JP disclosed
JP-H0327389-A ANTI-BACTERIAL AGENT MEDIOLANUM FARMACEUT SRL 1991-02-05 JP disclosed