SCHEMBL7778458

SCHEMBL7778458

CC(C)CCOC(=O)c1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
SLC28A3 Q9HAS3 4/20 0.48
TYR P14679 4/20 0.48
AKR1B1 P15121 1/20 0.48
DPP4 P27487 1/20 0.48
SNCA P37840 1/20 0.47
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
G6PD P11413 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
PTGS2 P35354 1/20 0.45
ACHE P22303 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7777966 0.94 SLC28A3 (0.49) SLC5A1SLC5A2SLC28A3TYRAKR1B1
SCHEMBL7780385 0.91 SLC5A1 (0.46) SLC5A1SLC5A2SLC28A3TYRAKR1B1
SCHEMBL7777981 0.90 SLC28A3 (0.50) SLC5A1SLC5A2SLC28A3TYRAKR1B1
SCHEMBL4635907 0.89 SLC28A3 (0.54) SLC5A1SLC5A2SLC28A3TYRAKR1B1
SCHEMBL7780183 0.87 TYR (0.49) SLC5A1SLC5A2SLC28A3TYRAKR1B1
SCHEMBL7780249 0.87 TYR (0.52) SLC5A1SLC5A2SLC28A3TYRAKR1B1
SCHEMBL4636842 0.86 TYR (0.53) SLC5A1SLC5A2SLC28A3TYRAKR1B1
SCHEMBL7773584 0.86 PTPN1 (0.50) SLC5A1SLC5A2SLC28A3TYRAKR1B1
SCHEMBL7780298 0.85 SLC5A1 (0.46) SLC5A1SLC5A2SLC28A3TYRAKR1B1
SCHEMBL4635939 0.85 AKR1B1 (0.53) SLC5A1SLC5A2SLC28A3TYRAKR1B1

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-0649648-B1 Skin whitening agents containing glycosides SHISEIDO CO LTD (JP) 2001-09-19 EP disclosed