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Sugi Predict / Compounds / SCHEMBL16788543

SCHEMBL16788543

SCHEMBL16788543

COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C([C@H](O)C(CO)OC4(C(=O)O)CC(O)C(NC(C)=O)C([C@H](O)[C@H](O)CO)O4)O3)C2O)C(O)C1O

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGLEC7 Q9Y286 6/20 0.76
▸ SELP P16109 2/20 0.61
▸ SELL P14151 1/20 0.61
▸ MAG P20916 9/20 0.61
▸ SELE P16581 2/20 0.50

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
SCHEMBL14379197 0.97 SIGLEC7 (0.73) SIGLEC7SELPSELLMAGSELE
SCHEMBL16788538 0.95 SIGLEC7 (0.69) SIGLEC7SELPSELLMAGSELE
SCHEMBL29732821 0.94 SIGLEC7 (0.76) SIGLEC7SELPSELLMAGSELE
SCHEMBL29378134 0.94 SIGLEC7 (0.76) SIGLEC7SELPSELLMAGSELE
SCHEMBL29390293 0.94 SIGLEC7 (0.76) SIGLEC7SELPSELLMAGSELE
SCHEMBL30650364 0.94 SIGLEC7 (0.76) SIGLEC7SELPSELLMAGSELE
SCHEMBL21134104 0.94 SIGLEC7 (0.67) SIGLEC7SELPSELLMAGSELE
SCHEMBL18966279 0.94 SIGLEC7 (0.67) SIGLEC7SELPSELLMAGSELE
SCHEMBL17950782 0.94 SIGLEC7 (0.67) SIGLEC7SELPSELLMAGSELE
SCHEMBL30649861 0.93 SIGLEC7 (0.75) SIGLEC7SELPSELLMAGSELE

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-2015081438-A1 ANTI-GANGLIOSIDE COMPOUND FOR TARGETING CANCER AND GENERATING ANTIBODIES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-06-11 — — WO disclosed
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