SCHEMBL5730591

SCHEMBL5730591

CC(=O)OC(C)(C)CC(=O)C(C)(O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TET2 Q6N021 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
SCHEMBL2963340 0.76 HMGCR (0.46) GAATSHRHMGCRCHRM1TBXA2R
SCHEMBL15604413 0.73 GAA (0.46) GAATSHRHMGCRCHRM1TBXA2R
SCHEMBL19647580 0.68 GAA (0.41) GAATSHRALDH1A1CYP2D6CYP2C19
SCHEMBL10456471 0.68 GAA (0.50) GAATSHRALDH1A1CYP2D6CYP2C19
SCHEMBL9138775 0.68 GAA (0.56) GAATSHRALDH1A1CYP2D6CYP2C19
SCHEMBL14370458 0.66 ALDH1A1 (0.45) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL17574069 0.66 GAA (0.48) GAATSHRALDH1A1
SCHEMBL29090047 0.66
SCHEMBL66105 0.66
SCHEMBL8627035 0.66 ALDH1A1 (0.45) GAATSHRHMGCRCHRM1TBXA2R

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
EP-1483271-B1 HETEROCYCLIC AMIDE DERIVATIVES HAVING GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-11-22 EP disclosed