SCHEMBL15061575

SCHEMBL15061575

CC(=O)N[C@H]1C(O)[C@H](O)C(CO)O[C@H]1O[C@@H]1C(CO)O[C@@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H]4OC(C)=N[C@H]4C3O)[C@@H](NC(C)=O)C2O)[C@@H](NC(C)=O)C1O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.63
LGALS3 P17931 7/20 0.50
CD69 Q07108 1/20 0.50
LGALS8 O00214 1/20 0.50
LGALS4 P56470 1/20 0.50
ALDH1A1 P00352 2/20 0.47
THRB P10828 1/20 0.47
LGALS9 O00182 2/20 0.45
MAPK1 P28482 1/20 0.45
LGALS7; LGALS7B P47929 2/20 0.45
LGALS1 P09382 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13321855 1.00 CHIA (0.63) CHIALGALS3CD69LGALS8LGALS4
SCHEMBL13321850 1.00 CHIA (0.63) CHIALGALS3CD69LGALS8LGALS4
SCHEMBL13353991 1.00 CHIA (0.63) CHIALGALS3CD69LGALS8LGALS4
SCHEMBL15061574 1.00 CHIA (0.63) CHIALGALS3CD69LGALS8LGALS4
SCHEMBL13321857 1.00 CHIA (0.63) CHIALGALS3CD69LGALS8LGALS4
SCHEMBL15061583 1.00 CHIA (0.63) CHIALGALS3CD69LGALS8LGALS4
SCHEMBL13354005 1.00 CHIA (0.63) CHIALGALS3CD69LGALS8LGALS4
SCHEMBL13321847 0.99 CHIA (0.61) CHIALGALS3CD69LGALS8LGALS4
SCHEMBL15061569 0.99 CHIA (0.61) CHIALGALS3CD69LGALS8LGALS4
SCHEMBL13333814 0.83 ENGASE (0.50) CHIALGALS3LGALS8LGALS4LGALS9

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-8470986-B2 Method for production of sugar oxazoline derivative TOHOKU UNIVERSITY (JP) 2013-06-25 US disclosed