SCHEMBL8585002

SCHEMBL8585002

COc1cc(CC(=O)O)cc([C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELP P16109 6/20 0.74
SELL P14151 3/20 0.74
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NFKB1 P19838 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC5A2 P31639 3/20 0.39
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC5A1 P13866 2/20 0.37
CA5A P35218 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13272228 0.85 SELP (1.00) SELPSELLGAATSHRALDH1A1
SCHEMBL8586232 0.85 SELP (1.00) SELPSELLGAATSHRALDH1A1
SCHEMBL8587822 0.84 SELP (0.84) SELPSELLGAATSHRALDH1A1
SCHEMBL8585392 0.81 SELP (1.00) SELPSELLGAASLC5A2KMT2A
SCHEMBL8588806 0.77 SELP (0.62) SELPSELLGAATSHRALDH1A1
SCHEMBL8585721 0.77 SELP (0.62) SELPSELLTDP1SLC5A2SLC5A1
SCHEMBL8587436 0.76 SELP (0.87) SELPSELLALDH1A1SLC5A2KMT2A
SCHEMBL8586082 0.76 SELP (0.61) SELPSELLGAATSHRALDH1A1
SCHEMBL499116 0.75 GAA (0.61) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL8586538 0.74 SELP (1.00) SELPSELLSLC5A2CYP1A2SLC5A1

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
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed