SCHEMBL7781003

SCHEMBL7781003

CCCCCCCCCCCCCCC(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 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
TYR P14679 3/20 0.46
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
SLC28A3 Q9HAS3 3/20 0.45
AKR1B1 P15121 1/20 0.44
DPP4 P27487 1/20 0.44
PTPN2 P17706 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SNCA P37840 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7780379 1.00 PTPN1 (0.49) PTPN1TYRSLC5A1SLC5A2SLC28A3
SCHEMBL7780183 0.89 TYR (0.49) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7781036 0.86 SLC28A3 (0.49) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL4635939 0.85 AKR1B1 (0.53) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7780226 0.85 SLC5A1 (0.48) TYRSLC5A1SLC5A2SLC28A3AKR1B1
SCHEMBL7780420 0.85 PTPN1 (0.52) PTPN1TYRSLC5A1SLC5A2SLC28A3
SCHEMBL7778012 0.85 PTPN1 (0.52) PTPN1TYRSLC5A1SLC5A2SLC28A3
SCHEMBL7773575 0.85 PTPN1 (0.52) PTPN1TYRSLC5A1SLC5A2SLC28A3
SCHEMBL7778445 0.85 PTPN1 (0.52) PTPN1TYRSLC5A1SLC5A2SLC28A3
SCHEMBL7781029 0.85 PTPN1 (0.52) PTPN1TYRSLC5A1SLC5A2SLC28A3

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