SCHEMBL4623923

SCHEMBL4623923

CCOC(=O)C(NC=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP8 P22894 2/20 0.34
ALOX15 P16050 1/20 0.33
PIN1 Q13526 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL837941 0.90 MGAM (0.42) MGAMGAASIMGAM2HCAR2
SCHEMBL11081199 0.82 MGAM (0.37) MGAMGAASIMGAM2HCAR2
SCHEMBL837942 0.78 MAPT (0.37) ALDH1A1
SCHEMBL9725740 0.78
SCHEMBL7060302 0.75 MGAM (0.41) MGAMGAASIMGAM2PKM
SCHEMBL10983086 0.75 MGAM (0.41) MGAMGAASIMGAM2HCAR2
SCHEMBL5527208 0.75 MGAM (0.41) MGAMGAASIMGAM2PKM
SCHEMBL3666311 0.75 ADH1B (0.38) ALDH1A1LMNA
SCHEMBL3179660 0.74 CES2 (0.43) MEN1KMT2A
SCHEMBL10913361 0.73 MGAM (0.39) MGAMGAASIMGAM2HCAR2

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
EP-1067950-B1 NEO-TRYPTOPHAN MAYO FOUNDATION (US) 2008-05-14 EP disclosed
US-5108990-A GLUTAMIC ACID DERIVATIVES ROUSSEL UCLAF (FR) 1992-04-28 US disclosed