SCHEMBL13849178

SCHEMBL13849178

C#CCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C1NC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.59
▸ LGALS8 O00214 1/20 0.59
▸ LGALS4 P56470 1/20 0.59
▸ MAPK1 P28482 2/20 0.55
▸ CD69 Q07108 1/20 0.54
▸ CHIA Q9BZP6 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ LGALS1 P09382 1/20 0.46
▸ LGALS7; LGALS7B P47929 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LGALS9 O00182 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL12792627 0.94 LGALS3 (0.67) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL13849179 0.92 MAPK1 (0.62) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL25868457 0.92 MAPK1 (0.62) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL12792638 0.92 MAPK1 (0.62) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL13702248 0.92 LGALS3 (0.63) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL14530114 0.92 LGALS3 (0.63) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL17547748 0.84 MAPK1 (0.69) LGALS3LGALS8LGALS4MAPK1CD69
Chitodextrin SCHEMBL619918 0.83 CD69 (0.60) LGALS3LGALS8LGALS4MAPK1CD69
Chitodextrin SCHEMBL21067311 0.83 CD69 (0.60) LGALS3LGALS8LGALS4MAPK1CD69
Chitodextrin SCHEMBL19427436 0.83 CD69 (0.60) LGALS3LGALS8LGALS4MAPK1CD69

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
EP-2060584-A1 Method for the production of proteins with chemically functionalized N-termini Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-05-20 — — EP disclosed
Send feedback