SCHEMBL28125353

SCHEMBL28125353

CCCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
TLR4 O00206 1/20 0.46
PYGB P11216 1/20 0.46
AKT1 P31749 1/20 0.44
PRKCA P17252 5/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL10325424 1.00 MAPK1 (0.46) MAPK1TLR4PYGBAKT1PRKCA
SCHEMBL28125354 1.00 MAPK1 (0.46) MAPK1TLR4PYGBAKT1PRKCA
SCHEMBL10325422 1.00 MAPK1 (0.46) MAPK1TLR4PYGBAKT1PRKCA
SCHEMBL10325423 1.00 MAPK1 (0.46) MAPK1TLR4PYGBAKT1PRKCA
SCHEMBL5082387 0.95 TLR4 (0.50) MAPK1TLR4AKT1PRKCA
SCHEMBL1705332 0.95 TLR4 (0.50) MAPK1TLR4AKT1PRKCA
SCHEMBL3875391 0.94 TLR4 (0.52) MAPK1TLR4AKT1PRKCA
SCHEMBL2297828 0.94 TLR4 (0.52) MAPK1TLR4AKT1PRKCA
SCHEMBL2198649 0.94 TLR4 (0.52) MAPK1TLR4AKT1PRKCA
SCHEMBL10325897 0.94 TLR4 (0.52) MAPK1TLR4AKT1PRKCA

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
CN-106459126-A Novel glucose derivative, and cell imaging method and imaging agent using the derivative 国立大学法人弘前大学 2017-02-22 CN disclosed