SCHEMBL13625424

SCHEMBL13625424

CC(=O)OCC(O)C[C@@H](COC(C)=O)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
PRKCA P17252 3/20 0.39
AR P10275 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 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
SCHEMBL7196895 0.84 TDP1 (0.46) TDP1USP2ALDH1A1CYP3A4MAPT
Triacetin SCHEMBL821340 0.83 TDP1 (0.56) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8074473 0.83 ALDH1A1 (0.58) TDP1USP2ALDH1A1CYP3A4MAPT
Triacetin SCHEMBL3870 0.83 TDP1 (0.56) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17707870 0.82 PRKCA (0.53) TDP1PRKCA
Triacetin SCHEMBL7194199 0.82 PRKCA (0.45) TDP1USP2ALDH1A1CYP3A4MAPT
SCHEMBL7215172 0.82 ADRB2 (0.53) TDP1ALDH1A1MEN1KMT2APRKCA
SCHEMBL7257559 0.82 ADRB2 (0.53) TDP1ALDH1A1MEN1KMT2APRKCA
Triacetin SCHEMBL16446056 0.81 TDP1 (0.54) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
Triacetin SCHEMBL8012678 0.81 TDP1 (0.54) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A

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-2009133401-A1 SYNTHESIS OF TIMOSAPONIN BII PHYTOPHARM PLC (GB) 2009-11-05 WO disclosed