SCHEMBL20122327

SCHEMBL20122327

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 4/20 0.57
▸ LGALS8 O00214 1/20 0.57
▸ LGALS4 P56470 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ MAPK1 P28482 2/20 0.52
▸ CD69 Q07108 1/20 0.52
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CHIA Q9BZP6 1/20 0.44
▸ FGF1 P05230 1/20 0.43
▸ FGF2 P09038 1/20 0.43
▸ VEGFA P15692 1/20 0.43
▸ HPSE Q9Y251 1/20 0.43
▸ LGALS1 P09382 1/20 0.43
▸ LGALS7; LGALS7B P47929 1/20 0.43

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
SCHEMBL26535291 1.00 LGALS3 (0.57) LGALS3LGALS8LGALS4ALDH1A1THRB
SCHEMBL18710744 0.93 LGALS3 (0.64) LGALS3LGALS8LGALS4ALDH1A1THRB
SCHEMBL20122237 0.93 LGALS3 (0.64) LGALS3LGALS8LGALS4ALDH1A1THRB
SCHEMBL12732705 0.89 LGALS3 (0.48) LGALS3LGALS8LGALS4ALDH1A1THRB
SCHEMBL18300844 0.88 LGALS3 (0.60) LGALS3LGALS8LGALS4ALDH1A1THRB
SCHEMBL6820124 0.87 MAPK1 (0.65) LGALS3LGALS8LGALS4ALDH1A1THRB
SCHEMBL13479975 0.87 MAPK1 (0.65) LGALS3LGALS8LGALS4ALDH1A1THRB
SCHEMBL5514293 0.87 MAPK1 (0.65) LGALS3LGALS8LGALS4ALDH1A1THRB
SCHEMBL5518959 0.87 MAPK1 (0.65) LGALS3LGALS8LGALS4ALDH1A1THRB
SCHEMBL10488345 0.87 MAPK1 (0.65) LGALS3LGALS8LGALS4ALDH1A1THRB

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-9963729-B2 Diversification of human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2018-05-08 — — US disclosed
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