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SCHEMBL16788602

SCHEMBL16788602

CC(=O)NC1C(O)CC(OC(CO)[C@@H](O)C2OC(OC3C(O)C(CO)OC(OC4C(CO)OC(Oc5ccc(N)cc5)C(O)C4O)C3O)(C(=O)O)CC(O)C2NC(C)=O)(C(=O)O)OC1C[C@H](O)CO

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGLEC7 Q9Y286 6/20 0.62
▸ MAG P20916 8/20 0.54
▸ SELL P14151 1/20 0.51
▸ SELP P16109 1/20 0.51
▸ SELE P16581 4/20 0.47

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
SCHEMBL16788601 0.96 SIGLEC7 (0.57) SIGLEC7MAGSELLSELPSELE
SCHEMBL16788729 0.85 SIGLEC7 (0.61) SIGLEC7MAGSELLSELPSELE
SCHEMBL18160541 0.85 SIGLEC7 (0.56) SIGLEC7MAGSELLSELPSELE
SCHEMBL18163360 0.84 SIGLEC7 (0.55) SIGLEC7MAGSELLSELPSELE
SCHEMBL30650364 0.84 SIGLEC7 (0.76) SIGLEC7MAGSELLSELPSELE
SCHEMBL30649861 0.83 SIGLEC7 (0.75) SIGLEC7MAGSELLSELPSELE
SCHEMBL16788543 0.83 SIGLEC7 (0.76) SIGLEC7MAGSELLSELPSELE
SCHEMBL29732821 0.83 SIGLEC7 (0.76) SIGLEC7MAGSELLSELPSELE
SCHEMBL29378134 0.83 SIGLEC7 (0.76) SIGLEC7MAGSELLSELPSELE
SCHEMBL29390293 0.83 SIGLEC7 (0.76) SIGLEC7MAGSELLSELPSELE

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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