SCHEMBL7777937

SCHEMBL7777937

CC(C)COC(=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 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
AKR1B1 P15121 1/20 0.56
DPP4 P27487 1/20 0.56
TYR P14679 4/20 0.55
POLB P06746 1/20 0.51
SLC28A3 Q9HAS3 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL941510 0.88 NPC1 (0.65) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL4636284 0.87 NPC1 (0.64) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL941333 0.86 NPC1 (0.63) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL941045 0.86 NPC1 (0.70) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL7778005 0.85 NPC1 (0.62) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL7777981 0.84 SLC28A3 (0.50) AKR1B1DPP4TYRPOLBSLC28A3
SCHEMBL7780286 0.83 NPC1 (0.59) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL28346617 0.82 NPC1 (0.74) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL4635640 0.82 NPC1 (0.68) NPC1RAB9AAKR1B1DPP4TYR
SCHEMBL943281 0.80 NPC1 (0.57) NPC1RAB9AAKR1B1DPP4TYR

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 1 patent. 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