SCHEMBL10429757

SCHEMBL10429757

CCOC(=O)[C@H](OC)[C@@H](OC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 3/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
PIN1 Q13526 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 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
SCHEMBL2951366 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1ALDH1A1HSD17B10
SCHEMBL8215496 0.83 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1ALDH1A1HSD17B10
SCHEMBL606620 0.80 SLC1A3 (0.65) SLC1A3SLC1A2SLC1A1ALDH1A1HSD17B10
SCHEMBL1196043 0.80 SLC1A3 (0.65) SLC1A3SLC1A2SLC1A1ALDH1A1HSD17B10
SCHEMBL10591110 0.80 SLC1A3 (0.65) SLC1A3SLC1A2SLC1A1ALDH1A1HSD17B10
SCHEMBL1197330 0.80 SLC1A3 (0.65) SLC1A3SLC1A2SLC1A1ALDH1A1HSD17B10
SCHEMBL13554956 0.79 ALDH1A1 (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1HSD17B10
SCHEMBL9628362 0.79 ALDH1A1 (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1HSD17B10
SCHEMBL9885923 0.78 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1ALDH1A1KMT2A
SCHEMBL8222511 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNAALOX15MGAM

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
US-4939277-A Aprotic polar solvents; high dielectric; cis configuration MITSUBISHI KASEI CORPORATION (JP) 1990-07-03 US disclosed