SCHEMBL5608028

SCHEMBL5608028

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
GLO1 Q04760 1/20 0.42
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
EGLN1 Q9GZT9 1/20 0.39
MAPT P10636 3/20 0.38
CYP1A2 P05177 2/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
S1PR4 O95977 1/20 0.37

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
SCHEMBL11031995 1.00 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
Bicarbonate SCHEMBL28963045 0.96 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23094584 0.85 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8321920 0.85 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27509512 0.83 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11469707 0.83 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1597248 0.83 ALDH1A1 (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27781924 0.83 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3303689 0.82 NPSR1 (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8130563 0.82 GAA (0.52) 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-20180337297-A1 SOLAR CELL MODULE MITSUI CHEMICALS TOHCELLO, INC. (JP) 2018-11-22 US disclosed
US-20070105984-A1 Composition comprising cellulose and polyvinyl chloride polymer E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-10 US disclosed