SCHEMBL1706259

SCHEMBL1706259

CCOC(=O)c1ccc(O)c(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.54
SLC28A3 Q9HAS3 4/20 0.54
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
CASP1 P29466 4/20 0.50
CASP7 P55210 4/20 0.50
HSD17B10 Q99714 4/20 0.50
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.50
AMY1A P0DUB6 1/20 0.50
KMT2A Q03164 1/20 0.50
STAT6 P42226 1/20 0.50
DYRK1A Q13627 1/20 0.50
XDH P47989 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
SCHEMBL29711107 0.88 SLC28A3 (0.56) SLC28A3KDM4EALDH1A1HPGDCASP1
SCHEMBL4368198 0.88 SLC28A3 (0.54) SLC28A3XDH
SCHEMBL4368675 0.88 SLC28A3 (0.54) SLC28A3XDH
SCHEMBL5193197 0.87 TDP1 (0.55) SLC28A3XDH
Pungenin SCHEMBL29613656 0.86 SLC28A3 (0.65) SLC28A3KDM4EALDH1A1HPGDCASP1
SCHEMBL1706253 0.84 SLC28A3 (0.56) SLC28A3KDM4EALDH1A1HPGDCASP1
Dextrose SCHEMBL1706777 0.82 CA12 (0.63) HSD17B2SLC28A3GAAXDH
SCHEMBL943281 0.81 NPC1 (0.57)
SCHEMBL7780399 0.81 PPARG (0.53) SLC28A3KDM4EALDH1A1HPGDCASP1
SCHEMBL943236 0.81 SLC28A3 (0.74) SLC28A3

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-2027279-B1 Phenolic compounds with cosmetic and therapeutic applications LIBRAGEN (FR) 2012-04-18 EP disclosed
EP-1867729-A1 Water soluble phenolics derivatives with dermocosmetic and therapeutic applications Libragen (FR) 2007-12-19 EP disclosed