SCHEMBL3200538

SCHEMBL3200538

CCOC(=O)CC(=O)[O-].[Cs+]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
MGAM O43451 1/20 0.67
SI P14410 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
ALDH1A1 P00352 4/20 0.48
TRPA1 O75762 1/20 0.48
CA4 P22748 2/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 2/20 0.40
SOAT1 P35610 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL1068041 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
Potassium Ion SCHEMBL15423 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3196220 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
Lithium Ion SCHEMBL3201231 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3183138 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5749896 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
Lithium Ion SCHEMBL15950284 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29455991 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13278768 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
Zinc Ion SCHEMBL13278766 0.95 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1

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
US-7674330-B2 Ink and ink-jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2010-03-09 US disclosed
US-20080282930-A1 INK AND INK-JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-11-20 US disclosed