SCHEMBL13130297

SCHEMBL13130297

CO[C@@H]1OC(CO)[C@H](OSOOO)[C@H](O[C@@H]2CC(C(=O)O)[C@@H](OC)[C@H](O)C2O)C1NC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 8/20 0.38
▸ LGALS7; LGALS7B P47929 3/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ LGALS9 O00182 3/20 0.36
▸ CD69 Q07108 1/20 0.35
▸ LGALS8 O00214 3/20 0.33
▸ LGALS4 P56470 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL14113910 0.86 LGALS3 (0.43) LGALS3LGALS7; LGALS7BLGALS1LGALS9CD69
SCHEMBL13130299 0.83 LGALS3 (0.42) LGALS3LGALS7; LGALS7BLGALS1LGALS9CD69
SCHEMBL13321918 0.80 CD69 (0.41) LGALS3LGALS7; LGALS7BLGALS1LGALS9CD69
SCHEMBL16016954 0.78 CD69 (0.43) LGALS3LGALS7; LGALS7BLGALS1LGALS9CD69
SCHEMBL13130296 0.76 BDNF (0.46) LGALS3LGALS7; LGALS7BLGALS1CD69
SCHEMBL25964076 0.76 MAPK1 (0.41) LGALS3LGALS7; LGALS7BLGALS1LGALS9CD69
SCHEMBL21743003 0.75 MAPK1 (0.39) LGALS3LGALS7; LGALS7BLGALS1LGALS9CD69
SCHEMBL14089003 0.73 ALDH1A1 (0.48) LGALS3CD69LGALS8LGALS4ALDH1A1
SCHEMBL14444723 0.71 LMNA (0.34) LGALS3LGALS7; LGALS7BLGALS1LGALS9ALDH1A1
SCHEMBL13994673 0.70 MAPK1 (0.41) LGALS3LGALS7; LGALS7BLGALS1LGALS9CD69

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-20100248260-A1 GLYCOSAMINOGLYCAN-COATED PARTICLES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-09-30 — — US disclosed
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