SCHEMBL22112013

SCHEMBL22112013

CC(=O)NC1C(C)OC(CO)[C@@H](O)C1O[C@@H]1OC(C(=O)O)[C@@H](O)C(O)C1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 5/20 0.48
▸ LGALS8 O00214 1/20 0.48
▸ LGALS4 P56470 1/20 0.48
▸ MAPK1 P28482 2/20 0.46
▸ BDNF P23560 3/20 0.45
▸ PTN P21246 2/20 0.45
▸ MDK P21741 2/20 0.45
▸ CD69 Q07108 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CHIA Q9BZP6 1/20 0.39
▸ LGALS1 P09382 1/20 0.39
▸ LGALS7; LGALS7B P47929 1/20 0.39
▸ FGF1 P05230 1/20 0.39
▸ FGF2 P09038 1/20 0.39
▸ VEGFA P15692 1/20 0.39
▸ HPSE Q9Y251 1/20 0.39

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
SCHEMBL12552832 1.00 LGALS3 (0.48) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL16269844 1.00 LGALS3 (0.48) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL12580124 1.00 LGALS3 (0.48) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL16085016 1.00 LGALS3 (0.48) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL26842303 1.00 LGALS3 (0.48) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL25024651 1.00 LGALS3 (0.48) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL15849910 0.94 MDK (0.53) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL20725122 0.94 MDK (0.53) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL12009749 0.92 MAPK1 (0.46) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL17072293 0.91 MAPK1 (0.45) LGALS3LGALS8LGALS4MAPK1BDNF

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-2020122816-A1 CONJUGATES AND NANOPARTICLES OF HYALURONIC ACID AND EPIGALLOCATECHIN-3-O-GALLATE AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-18 — — WO disclosed
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