SCHEMBL13130299

SCHEMBL13130299

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 8/20 0.42
▸ LGALS7; LGALS7B P47929 3/20 0.41
▸ LGALS1 P09382 1/20 0.41
▸ LGALS9 O00182 3/20 0.40
▸ F10 P00742 1/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ LGALS4 P56470 1/20 0.40
▸ MDK P21741 4/20 0.40
▸ BDNF P23560 3/20 0.40
▸ PTN P21246 2/20 0.40
▸ CD69 Q07108 1/20 0.36
▸ AMY2A P04746 1/20 0.35
▸ CHIA Q9BZP6 1/20 0.35

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
Dermatan SCHEMBL13472480 0.86 LGALS3 (0.49) LGALS3LGALS7; LGALS7BLGALS1LGALS9F10
Dermatan SCHEMBL19846466 0.86 LGALS3 (0.49) LGALS3LGALS7; LGALS7BLGALS1LGALS9F10
Dermatan SCHEMBL19184706 0.86 LGALS3 (0.49) LGALS3LGALS7; LGALS7BLGALS1LGALS9F10
Dermatan SCHEMBL16311126 0.86 LGALS3 (0.49) LGALS3LGALS7; LGALS7BLGALS1LGALS9F10
Dermatan SCHEMBL18232151 0.86 LGALS3 (0.49) LGALS3LGALS7; LGALS7BLGALS1LGALS9F10
Dermatan SCHEMBL12691925 0.86 LGALS3 (0.49) LGALS3LGALS7; LGALS7BLGALS1LGALS9F10
Dermatan SCHEMBL29360360 0.86 LGALS3 (0.49) LGALS3LGALS7; LGALS7BLGALS1LGALS9F10
SCHEMBL14904500 0.85 LGALS3 (0.55) LGALS3LGALS7; LGALS7BLGALS1LGALS9F10
SCHEMBL13321923 0.84 BDNF (0.54) LGALS3F10MDKBDNFPTN
SCHEMBL24844372 0.84 BDNF (0.50) LGALS3LGALS7; LGALS7BLGALS1LGALS9F10

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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