SCHEMBL13625312

SCHEMBL13625312

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.75
ABCB1 P08183 1/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
PRKCA P17252 1/20 0.36
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
USP2 O75604 3/20 0.32
CYP3A4 P08684 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
PGD P52209 1/20 0.32
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 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
SCHEMBL16627356 0.94 TDP1 (0.79) TDP1ABCB1MAPK1POLBPRKCA
SCHEMBL17635918 0.94 TDP1 (0.79) TDP1ABCB1MAPK1POLBPRKCA
SCHEMBL270042 0.88 TDP1 (0.96) TDP1ABCB1MAPK1POLBALDH1A1
SCHEMBL7154355 0.88 TDP1 (0.88) TDP1ABCB1MAPK1POLBALDH1A1
SCHEMBL7150717 0.88 TDP1 (0.96) TDP1ABCB1MAPK1POLBALDH1A1
SCHEMBL826717 0.88 TDP1 (0.96) TDP1ABCB1MAPK1POLBALDH1A1
SCHEMBL2175855 0.88 TDP1 (0.96) TDP1ABCB1MAPK1POLBALDH1A1
SCHEMBL7149374 0.88 TDP1 (0.96) TDP1ABCB1MAPK1POLBALDH1A1
SCHEMBL187068 0.88 TDP1 (0.88) TDP1ABCB1MAPK1POLBALDH1A1
SCHEMBL7146329 0.88 TDP1 (0.88) TDP1ABCB1MAPK1POLBALDH1A1

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