SCHEMBL3832133

SCHEMBL3832133

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
PGD P52209 1/20 0.36
USP2 O75604 3/20 0.36
CYP3A4 P08684 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
ABCB1 P08183 1/20 0.34
LMNA P02545 3/20 0.33
PRKCA P17252 3/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL7757654 0.83 TDP1 (0.64) TDP1PGDUSP2CYP3A4MAPT
SCHEMBL8723281 0.82 TDP1 (0.75) TDP1PGDMAPTALDH1A1SMN1; SMN2
SCHEMBL7150206 0.82 TDP1 (0.75) TDP1PGDMAPTALDH1A1SMN1; SMN2
SCHEMBL12846719 0.82 TDP1 (0.75) TDP1PGDMAPTALDH1A1SMN1; SMN2
SCHEMBL9330434 0.77 TSHR (0.47) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL9546133 0.77 KDM4E (0.36) TDP1MEN1KMT2ALMNAPRKCA
SCHEMBL8447422 0.77 TDP1 (0.67) TDP1PGDMAPTALDH1A1SMN1; SMN2
SCHEMBL9426447 0.77 TDP1 (0.67) TDP1PGDMAPTALDH1A1SMN1; SMN2
SCHEMBL29619673 0.76
SCHEMBL33457 0.76

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
EP-2100129-A1 SENSOR DEVICE The Horticulture and Food Research Institute of New Zealand Limited (NZ) 2009-09-16 EP disclosed
WO-2008079024-A1 SENSOR DEVICE THE HORTICULTURE AND FOOD RESEARCH INSTITUTE OF NEW ZEALAND LTD. (NZ) 2008-07-03 WO disclosed