SCHEMBL5084205

SCHEMBL5084205

COC(=O)CC(=O)O.COC(=O)CC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.55
GAA P10253 2/20 0.55
SI P14410 2/20 0.55
MGAM2 Q2M2H8 2/20 0.55
TSHR P16473 5/20 0.53
HSD17B10 Q99714 2/20 0.48
LDHA P00338 1/20 0.47
SRR Q9GZT4 1/20 0.47
KMT2A Q03164 2/20 0.39
TET2 Q6N021 1/20 0.39
MEN1 O00255 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 3/20 0.37
FFAR3 O14843 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
SCHEMBL31290754 0.97 MGAM (0.58) MGAMGAASIMGAM2TSHR
SCHEMBL180823 0.97
SCHEMBL2846065 0.94
SCHEMBL28356244 0.94
SCHEMBL29002113 0.94 MGAM (0.55) MGAMGAASIMGAM2TSHR
SCHEMBL25276833 0.94
SCHEMBL3181134 0.94
SCHEMBL1463993 0.94
Malonic Acid SCHEMBL10889994 0.94 LDHA (0.56) MGAMGAASIMGAM2TSHR
SCHEMBL3197986 0.94

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
WO-2008150487-A2 SYNTHESIS OF HALF ESTERS TEXAS TECH UNIVERSITY (US) 2008-12-11 WO disclosed