SCHEMBL9297828

SCHEMBL9297828

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HTT P42858 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
SCHEMBL26832067 0.85 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30610981 0.83 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11365400 0.82 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30762100 0.79 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL18289511 0.79 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL140455 0.78 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL2138230 0.78 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL16308647 0.77 CA1 (0.47)
SCHEMBL11363390 0.77 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL18289508 0.75 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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-5374366-A Branched alkyl di-, tri- and tetraesters; machine oil miscible with hydrofluoroalkane refrigerants; high viscosity index; low pour point; heat, weather and hydrolysis resistance SANKEN CHEMICAL CO., LTD. (JP) 1994-12-20 US disclosed