SCHEMBL22137175

SCHEMBL22137175

CC(=O)NC1C(OC2OC(C(=O)O)C(OC(C)(C)C)C(O)C2O)C(O)C(CO)OC1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.42
▸ LGALS8 O00214 1/20 0.42
▸ LGALS4 P56470 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MDK P21741 3/20 0.40
▸ BDNF P23560 3/20 0.40
▸ PTN P21246 2/20 0.40
▸ CD69 Q07108 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CHIA Q9BZP6 1/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36
▸ FGF1 P05230 1/20 0.36
▸ FGF2 P09038 1/20 0.36
▸ VEGFA P15692 1/20 0.36
▸ HPSE Q9Y251 1/20 0.36
▸ LGALS9 O00182 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
SCHEMBL26479163 0.96 MDK (0.45) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL18386460 0.91 LGALS3 (0.40) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL20290392 0.91 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL19221227 0.91 LGALS3 (0.42) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL23322444 0.91 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL19852803 0.91 LGALS3 (0.45) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL18608226 0.91 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL18608138 0.91 LGALS3 (0.43) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL20021737 0.89 LGALS3 (0.47) LGALS3LGALS8LGALS4MAPK1MDK
SCHEMBL24689230 0.88 MAPK1 (0.42) LGALS3LGALS8LGALS4MAPK1MDK

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-2020131513-A1 HYDROGEL COMPOSITIONS BASED ON POLYSACCHARIDES AND ZWITTERIONIC POLYMERS, AND METHODS FOR THEIR USE TAPROOT MEDICAL TECHNOLOGIES, LLC (US) 2020-06-25 — — WO disclosed
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