SCHEMBL4311541

SCHEMBL4311541

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
AR P10275 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.39
PRKCA P17252 3/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL30597601 1.00 TDP1 (0.46) TDP1ARGAATSHRPRKCA
SCHEMBL13121941 0.96 TSHR (0.42) TDP1ARGAATSHRPRKCA
Triacetin SCHEMBL15969292 0.91 ALDH1A1 (0.45) TDP1ARGAATSHRPRKCA
Triacetin SCHEMBL27851892 0.88 TDP1 (0.46) TDP1ARGAATSHRPRKCA
Triacetin SCHEMBL821340 0.87 TDP1 (0.56) TDP1ARGAATSHRPRKCA
Triacetin SCHEMBL3870 0.87 TDP1 (0.56) TDP1ARGAATSHRPRKCA
SCHEMBL822392 0.86 PRKCA (0.53) PRKCA
Triacetin SCHEMBL16445622 0.85 TDP1 (0.54) TDP1ARGAATSHRPRKCA
Triacetin SCHEMBL16446056 0.85 TDP1 (0.54) TDP1ARGAATSHRPRKCA
Triacetin SCHEMBL4367394 0.85 TDP1 (0.54) TDP1ARGAATSHRPRKCA

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-1390085-B1 HYDROGEL COMPOSITIONS AV TOPCHIEV INST PETROCHEMICAL (RU) 2009-08-05 EP claimed