SCHEMBL21847430

SCHEMBL21847430

CCC=C(CC(=O)O)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP2D6 P10635 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
NPSR1 Q6W5P4 1/20 0.39
GLO1 Q04760 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
DHODH Q02127 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27509512 0.84 GAA (0.54) ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1
SCHEMBL1597248 0.83 ALDH1A1 (0.50) ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1
SCHEMBL10473112 0.82 ALDH1A1 (0.42) ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1
SCHEMBL10473111 0.82 ALDH1A1 (0.42) ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1
SCHEMBL5144387 0.81 NPSR1 (0.43) ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1
SCHEMBL5144385 0.81 NPSR1 (0.43) ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1
SCHEMBL14706608 0.80 TSHR (0.54) ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1
SCHEMBL10575406 0.79 NPSR1 (0.42) ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1
SCHEMBL10387327 0.79 NPSR1 (0.42) ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1
Ammonia Solution, Strong SCHEMBL5307943 0.79 NPSR1 (0.42) ALDH1A1CYP2D6SMN1; SMN2EGLN1NPSR1

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-3638634-A1 GLASS FIBER SURFACES WHICH ARE MODIFIED WITHOUT SIZING MATERIAL AND SILANE, COMPOSITE MATERIALS PRODUCED THEREFROM, AND METHOD FOR PRODUCING THE MODIFIED GLASS FIBER SURFACES Leibniz-Institut für Polymerforschung Dresden e.V. (DE) 2020-04-22 EP disclosed
CN-110753678-A Sizing agent-free and silane-free modified glass fiber surfaces, composites made therefrom, and methods of making modified glass fiber surfaces 德累斯顿莱布尼茨聚合物研究所 2020-02-04 CN disclosed