SCHEMBL7778005

SCHEMBL7778005

CCCCOC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
PTPN1 P18031 3/20 0.56
AKR1B1 P15121 1/20 0.56
DPP4 P27487 1/20 0.56
TYR P14679 4/20 0.55
POLB P06746 1/20 0.51
PTPN2 P17706 1/20 0.50
SLC28A3 Q9HAS3 1/20 0.49

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
SCHEMBL7780286 0.97 NPC1 (0.59) NPC1RAB9APTPN1AKR1B1DPP4
SCHEMBL941333 0.95 NPC1 (0.63) NPC1RAB9APTPN1AKR1B1DPP4
SCHEMBL941510 0.90 NPC1 (0.65) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL941363 0.86 NPC1 (0.55) NPC1RAB9APTPN1AKR1B1DPP4
SCHEMBL941045 0.86 NPC1 (0.70) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL7780249 0.85 TYR (0.52) NPC1RAB9APTPN1AKR1B1DPP4
SCHEMBL7777937 0.85 NPC1 (0.62) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL4636284 0.83 NPC1 (0.64) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL7773584 0.82 PTPN1 (0.50) PTPN1AKR1B1DPP4TYRSLC28A3
SCHEMBL4635640 0.82 NPC1 (0.68) NPC1RAB9APTPN1AKR1B1DPP4

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 2 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
EP-0649648-A2 Skin whitening agents containing glycosides SHISEIDO COMPANY LIMITED (JP) 1995-04-26 EP disclosed