SCHEMBL22041103

SCHEMBL22041103

CCC(=O)N[C@@H]1C(O)C=C(C(=O)O)OC1C(C)C(O)CO

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NEU1 Q99519 16/20 0.81
NEU2 Q9Y3R4 13/20 0.81
NEU4 Q8WWR8 6/20 0.81
NEU3 Q9UQ49 6/20 0.81

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
SCHEMBL22043149 0.90 NEU1 (0.83) NEU1NEU2NEU4NEU3
SCHEMBL22276780 0.89 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL22276784 0.89 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL6017930 0.89 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL20568234 0.89 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL22041093 0.89 NEU1 (0.82) NEU1NEU2NEU4NEU3
SCHEMBL21125932 0.88 NEU1 (0.81) NEU1NEU2NEU4NEU3
SCHEMBL22276948 0.81 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL22276777 0.81 NEU1 (1.00) NEU1NEU2NEU4NEU3
SCHEMBL22276781 0.81 NEU1 (1.00) NEU1NEU2NEU4NEU3

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-2020107124-A1 METHODS OF MODULATING LEUKOCYTES ACTIVATION AND THROMBOCYTE CLEARANCE WITH INHIBITORS OF SPECIFIC NEURAMINIDASE ISOENZYMES PCHEJETSKI ALEXEY (CA) 2020-06-04 WO disclosed