SCHEMBL8586232

SCHEMBL8586232

COc1ccc(CC(=O)O)cc1[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SELP P16109 6/20 1.00
SELL P14151 3/20 1.00
SLC5A2 P31639 5/20 0.51
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA5A P35218 1/20 0.48
NPSR1 Q6W5P4 1/20 0.43
SLC5A1 P13866 3/20 0.42
PTGS1 P23219 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40

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 1.00 SELP (1.00) SELPSELLSLC5A2GAAALDH1A1
SCHEMBL8587822 0.91 SELP (0.84) SELPSELLSLC5A2GAAALDH1A1
SCHEMBL8587436 0.88 SELP (0.87) SELPSELLSLC5A2ALDH1A1SLC5A1
SCHEMBL8586538 0.86 SELP (1.00) SELPSELLSLC5A2SLC5A1
SCHEMBL8585002 0.85 SELP (0.74) SELPSELLSLC5A2GAAALDH1A1
SCHEMBL8585011 0.84 SELP (0.73) SELPSELLSLC5A2GAAALDH1A1
SCHEMBL8585085 0.82 SELP (0.71) SELPSELLSLC5A2SLC5A1
SCHEMBL8584062 0.82 SELP (0.71) SELPSELLSLC5A2SLC5A1
SCHEMBL8585225 0.81 SELP (0.68) SELPSELLSLC5A2SLC5A1PTGDR2
SCHEMBL8584508 0.78 SELP (0.64) SELPSELLSLC5A2GAAALDH1A1

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