SCHEMBL28705496

SCHEMBL28705496

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 6/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 1/20 0.33
LMNA P02545 1/20 0.33
GALR3 O60755 1/20 0.33

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
SCHEMBL11841797 0.79 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL19647675 0.78
SCHEMBL13808917 0.78
SCHEMBL18760222 0.77 TSHR (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL7691229 0.77 TSHR (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL19142908 0.76 ALOX15 (0.52) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL19629049 0.76 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL17968568 0.76 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL9743514 0.74 MGAM (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL13345401 0.74 MGAM (0.39) MGAMGAASIMGAM2TSHR

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-114178292-B System and method for realizing co-production of various ester products by taking food waste as raw material 西安建筑科技大学 2023-06-06 CN disclosed
CN-114178292-A System and method for realizing co-production of multiple ester products by taking food waste as raw material 西安建筑科技大学 2022-03-15 CN disclosed