SCHEMBL7778017

SCHEMBL7778017

CCCC(C)(C)OC(=O)c1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.49
DPP4 P27487 1/20 0.49
SNCA P37840 1/20 0.48
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
SLC28A3 Q9HAS3 4/20 0.47
TYR P14679 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
G6PD P11413 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
PTGS2 P35354 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 1/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL7773579 0.92 SLC28A3 (0.49) AKR1B1DPP4SNCASLC5A1SLC5A2
SCHEMBL7777995 0.90 AKR1B1 (0.48) AKR1B1DPP4SNCASLC5A1SLC5A2
SCHEMBL7780290 0.89 TYR (0.52) AKR1B1DPP4SNCASLC5A1SLC5A2
SCHEMBL7778024 0.88 SLC28A3 (0.49) AKR1B1DPP4SNCASLC5A1SLC5A2
SCHEMBL7781093 0.87 SLC28A3 (0.50) AKR1B1DPP4SNCASLC5A1SLC5A2
SCHEMBL7773580 0.85 SNCA (0.48) AKR1B1DPP4SNCASLC5A1SLC5A2
SCHEMBL4635907 0.83 SLC28A3 (0.54) AKR1B1DPP4SNCASLC5A1SLC5A2
SCHEMBL4636842 0.83 TYR (0.53) AKR1B1DPP4SNCASLC5A1SLC5A2
SCHEMBL4635652 0.83 SNCA (0.58) AKR1B1DPP4SNCASLC5A1SLC5A2
SCHEMBL7780256 0.82 SLC28A3 (0.50) AKR1B1DPP4SNCASLC5A1SLC5A2

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 3 patents. 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
US-5700784-A GLYCOSIDES OF HYDROXYSALICYLIC ACID AND/OR GLYCOSIDES OF ESTERS OF HYDROXYSALICYLIC ACID; EXCELLENT WHITENING EFFECT AND SKIN CARE EFFECT SHISEIDO CO., LTD. (JP) 1997-12-23 US disclosed
EP-0649648-A2 Skin whitening agents containing glycosides SHISEIDO COMPANY LIMITED (JP) 1995-04-26 EP disclosed