SCHEMBL13849179

SCHEMBL13849179

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.58
▸ THRB P10828 1/20 0.58
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CD69 Q07108 1/20 0.50
▸ LGALS8 O00214 1/20 0.50
▸ LGALS3 P17931 1/20 0.50
▸ LGALS4 P56470 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ POLB P06746 1/20 0.46

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
SCHEMBL12792638 1.00 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL25868457 1.00 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL13849178 0.92 LGALS3 (0.59) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL12792627 0.89 LGALS3 (0.67) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL24299984 0.88 MAPK1 (0.61) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL24917470 0.87 MAPK1 (0.67) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL26989024 0.86 MAPK1 (0.47) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL14530114 0.86 LGALS3 (0.63) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL13702248 0.86 LGALS3 (0.63) MAPK1ALDH1A1THRBCD69LGALS8
SCHEMBL25344300 0.85 MAPK1 (0.71) MAPK1ALDH1A1THRBMEN1KMT2A

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
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