SCHEMBL8611563

SCHEMBL8611563

COc1c(-c2ccccc2CCOS(=O)(=O)O)cccc1[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SELP P16109 5/20 0.38
SELL P14151 2/20 0.38
SLC5A1 P13866 2/20 0.32
SLC5A2 P31639 2/20 0.32

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
SCHEMBL8611776 0.77 SELP (0.41) SELPSELLSLC5A1SLC5A2
SCHEMBL8585721 0.72 SELP (0.62) SELPSELLSLC5A1SLC5A2
SCHEMBL8587086 0.71 SELP (0.39) SELPSELLSLC5A1SLC5A2
SCHEMBL8610155 0.69 SELP (0.44) SELPSELLSLC5A1SLC5A2
SCHEMBL8586082 0.69 SELP (0.61) SELPSELLSLC5A1SLC5A2
SCHEMBL8588806 0.67 SELP (0.62) SELPSELLSLC5A2
SCHEMBL8585815 0.66 SELP (0.37) SELPSELLSLC5A1SLC5A2
SCHEMBL5075684 0.60 CA1 (0.38)
SCHEMBL10560757 0.60 USP2 (0.38)
SCHEMBL28854623 0.59 CA1 (0.41)

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