SCHEMBL6127768

SCHEMBL6127768

C=CCOC1OC(CNC(C)=O)C(O)C(O)C1NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LGALS8 O00214 1/20 0.39
LGALS3 P17931 1/20 0.39
LGALS4 P56470 1/20 0.39
CD69 Q07108 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CHIA Q9BZP6 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL13780934 0.87 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL15334479 0.87 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL16392567 0.87 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL24299983 0.87 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL14268514 0.87 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL23602189 0.87 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL13781334 0.87 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL5172619 0.87 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL20904146 0.87 MAPK1 (0.62) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL14819154 0.87 MAPK1 (0.62) 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
WO-2012062996-A1 DERIVATIVES OF 6-AMINO-6-DEOXYGLUCOSAMINE AND USE OF SAME AS ANTIBACTERIAL AGENTS UNIVERSITE JOSEPH FOURIER (FR) 2012-05-18 WO disclosed