SCHEMBL13483310

SCHEMBL13483310

COC1OC(CO)C(OC2OC(C(=O)O)C(OC3OC(CO)C(OC4OC(C(=O)O)C(OC5OC(CO)C(OC6OC(C(=O)O)C(OC)C(O)C6O)C(O)C5NC(C)=O)C(O)C4O)C(O)C3NC(C)=O)C(O)C2O)C(O)C1NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 8/20 0.54
LGALS7; LGALS7B P47929 3/20 0.52
LGALS1 P09382 1/20 0.52
LGALS8 O00214 1/20 0.52
LGALS4 P56470 1/20 0.52
LGALS9 O00182 3/20 0.51
F10 P00742 1/20 0.50
CHIA Q9BZP6 1/20 0.47
BDNF P23560 3/20 0.46
MDK P21741 3/20 0.46
PTN P21246 2/20 0.46
CD69 Q07108 1/20 0.45
HPSE Q9Y251 2/20 0.44

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
SCHEMBL14904500 0.98 LGALS3 (0.55) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4
SCHEMBL27433373 0.95 LGALS3 (0.56) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4
SCHEMBL14665994 0.94 LGALS3 (0.49) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4
SCHEMBL27433376 0.93 LGALS3 (0.51) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4
SCHEMBL13483313 0.93 LGALS3 (0.51) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4
SCHEMBL24844372 0.93 BDNF (0.50) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4
SCHEMBL14497205 0.93 BDNF (0.50) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4
SCHEMBL25785578 0.93 BDNF (0.50) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4
SCHEMBL19295777 0.91 BDNF (0.49) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4
Dermatan SCHEMBL16311126 0.90 LGALS3 (0.49) LGALS3LGALS7; LGALS7BLGALS1LGALS8LGALS4

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
US-7655445-B2 Synthesis of N-deacetylate N-sulfate derivatives of non-sulfated N-acetyl heparosan (HS) polysaccharides; rapid synthesis; high product yield MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-02 US disclosed