SCHEMBL7777966

SCHEMBL7777966

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC28A3 Q9HAS3 5/20 0.49
SLC5A1 P13866 3/20 0.47
SLC5A2 P31639 2/20 0.47
TYR P14679 4/20 0.46
AKR1B1 P15121 1/20 0.46
DPP4 P27487 1/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC28A2 O43868 1/20 0.46
EPHX2 P34913 1/20 0.46
SNCA P37840 1/20 0.46
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 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
SCHEMBL7778458 0.94 SLC5A1 (0.48) SLC28A3SLC5A1SLC5A2TYRAKR1B1
SCHEMBL7780249 0.89 TYR (0.52) SLC28A3SLC5A1SLC5A2TYRAKR1B1
SCHEMBL7773584 0.88 PTPN1 (0.50) SLC28A3SLC5A1SLC5A2TYRAKR1B1
SCHEMBL7777981 0.88 SLC28A3 (0.50) SLC28A3SLC5A1SLC5A2TYRAKR1B1
SCHEMBL7780385 0.87 SLC5A1 (0.46) SLC28A3SLC5A1SLC5A2TYRAKR1B1
SCHEMBL7780420 0.87 PTPN1 (0.52) SLC28A3SLC5A1SLC5A2TYRAKR1B1
SCHEMBL7781029 0.87 PTPN1 (0.52) SLC28A3SLC5A1SLC5A2TYRAKR1B1
SCHEMBL7778012 0.87 PTPN1 (0.52) SLC28A3SLC5A1SLC5A2TYRAKR1B1
SCHEMBL7773575 0.87 PTPN1 (0.52) SLC28A3SLC5A1SLC5A2TYRAKR1B1
SCHEMBL7781033 0.87 PTPN1 (0.52) SLC28A3SLC5A1SLC5A2TYRAKR1B1

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