SCHEMBL7780183

SCHEMBL7780183

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 6/20 0.49
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
SLC28A3 Q9HAS3 3/20 0.47
AKR1B1 P15121 1/20 0.47
DPP4 P27487 1/20 0.47
SNCA P37840 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
PTGS2 P35354 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL7781036 0.92 SLC28A3 (0.49) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL4635939 0.89 AKR1B1 (0.53) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7780379 0.89 PTPN1 (0.49) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7781003 0.89 PTPN1 (0.49) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7778458 0.87 SLC5A1 (0.48) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7780430 0.87 SLC5A1 (0.48) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7780208 0.87 SLC28A3 (0.50) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7780226 0.86 SLC5A1 (0.48) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7777966 0.85 SLC28A3 (0.49) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7778446 0.85 SLC5A1 (0.48) TYRSLC5A1SLC5A2SLC28A3AKR1B1

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