SCHEMBL28077108

SCHEMBL28077108

CCOC(=O)NOC(=O)C(C)=CC=C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.38
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 3/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
NPC1 O15118 1/20 0.32
PTGS1 P23219 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPA1 O75762 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
SCHEMBL15564 0.82 ALDH1A1 (0.40) GLO1ALDH1A1SMN1; SMN2CYP2D6LMNA
SCHEMBL22126048 0.81 GLO1 (0.37) GLO1ALDH1A1SMN1; SMN2CYP2D6LMNA
SCHEMBL27928377 0.80 GLO1 (0.52) GLO1ALDH1A1SMN1; SMN2CYP2D6LMNA
SCHEMBL26962948 0.80 ALDH1A1 (0.34) GLO1ALDH1A1SMN1; SMN2CYP2D6LMNA
SCHEMBL28299706 0.79 GLO1 (0.36) GLO1ALDH1A1SMN1; SMN2CYP2D6LMNA
SCHEMBL22493848 0.79 GLO1 (0.36) GLO1ALDH1A1SMN1; SMN2CYP2D6LMNA
SCHEMBL27935543 0.78 GLO1 (0.35) GLO1ALDH1A1SMN1; SMN2CYP2D6LMNA
SCHEMBL28556598 0.77 GLO1 (0.34) GLO1ALDH1A1SMN1; SMN2CYP2D6LMNA
SCHEMBL21483481 0.77 CYP2D6 (0.38) GLO1ALDH1A1SMN1; SMN2CYP2D6LMNA
SCHEMBL10834793 0.75 GAA (0.35) GLO1ALDH1A1SMN1; SMN2CYP2D6LMNA

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
CN-107446541-A One-component bar glue and preparation method thereof 广州双科新材料有限公司 2017-12-08 CN disclosed
CN-102985052-B Dental composition, assembly box set and application thereof 3M创新有限公司 2016-10-19 CN disclosed