SCHEMBL23057244

SCHEMBL23057244

COC1OC(CO)[C@@H](O)C(OC2O[C@@H](C)[C@@H](O)[C@@H](O)C2O)[C@H]1NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.52
▸ LGALS8 O00214 3/20 0.52
▸ LGALS4 P56470 1/20 0.52
▸ LGALS1 P09382 1/20 0.50
▸ LGALS7; LGALS7B P47929 1/20 0.50
▸ LGALS9 O00182 1/20 0.48
▸ CD69 Q07108 1/20 0.47
▸ STAT3 P40763 2/20 0.46
▸ AMY1A P0DUB6 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ SELL P14151 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SELE P16581 1/20 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
SCHEMBL24495336 1.00 LGALS3 (0.52) LGALS3LGALS8LGALS4LGALS1LGALS7; LGALS7B
SCHEMBL15213287 0.96 LGALS3 (0.51) LGALS3LGALS8LGALS4LGALS1LGALS7; LGALS7B
SCHEMBL25787339 0.94 LGALS3 (0.54) LGALS3LGALS8LGALS4LGALS1LGALS7; LGALS7B
SCHEMBL25787334 0.94 LGALS3 (0.54) LGALS3LGALS8LGALS4LGALS1LGALS7; LGALS7B
SCHEMBL25787368 0.94 LGALS3 (0.54) LGALS3LGALS8LGALS4LGALS1LGALS7; LGALS7B
SCHEMBL20122239 0.93 LGALS3 (0.58) LGALS3LGALS8LGALS4LGALS1LGALS7; LGALS7B
SCHEMBL15333778 0.93 LGALS3 (0.58) LGALS3LGALS8LGALS4LGALS1LGALS7; LGALS7B
SCHEMBL20121276 0.93 LGALS3 (0.58) LGALS3LGALS8LGALS4LGALS1LGALS7; LGALS7B
SCHEMBL15258381 0.92 LGALS3 (0.48) LGALS3LGALS8LGALS4LGALS1LGALS7; LGALS7B
SCHEMBL21678048 0.91 LGALS3 (0.52) LGALS3LGALS8LGALS4LGALS1LGALS7; LGALS7B

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-2021039644-A1 QUANTIFICATION METHOD OF Hex4, lyso-GM1, Fuc-GlcNAc-Asn, AND lyso-sulfataide INCLUDED IN CEREBROSPINAL FLUID JCRファーマ株式会社 2021-03-04 — — WO disclosed
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