SCHEMBL16664716

SCHEMBL16664716

CCC1O[C@H](COC)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.42
FBP1 P09467 1/20 0.41
G6PD P11413 3/20 0.35
PYGB P11216 1/20 0.33
ADK P55263 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
AMDHD2 Q9Y303 1/20 0.33
TLR4 O00206 1/20 0.31

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
SCHEMBL17236286 1.00 OGA (0.42) OGAFBP1G6PDPYGBADK
SCHEMBL13111884 1.00 OGA (0.42) OGAFBP1G6PDPYGBADK
SCHEMBL22652623 0.91 FBP1 (0.46) OGAFBP1PYGBADKADORA3
SCHEMBL18081360 0.91 FBP1 (0.46) OGAFBP1PYGBADKADORA3
SCHEMBL20225969 0.88 GAA (0.42) OGAG6PD
SCHEMBL15884100 0.86 OGA (0.35) OGAFBP1G6PD
SCHEMBL14805364 0.85 OGA (0.35) OGAFBP1G6PD
SCHEMBL17378218 0.84 OGA (0.38) OGAFBP1ADKADORA3
SCHEMBL14306795 0.83 PYGB (0.49) OGAFBP1PYGB
SCHEMBL13768389 0.83 PYGB (0.49) OGAFBP1PYGB

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-2015057958-A2 ENTEROBACTIN CONJUGATES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-23 WO disclosed