SCHEMBL7023317

SCHEMBL7023317

CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)O)O[C@H]2n2ccc(N)nc2=O)C[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 6/20 0.41
MAG P20916 3/20 0.39
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
MTOR P42345 1/20 0.37
MDM2 Q00987 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
NANP Q8TBE9 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
SCHEMBL237564 0.87 ST6GAL1 (0.45) ST6GAL1NANP
SCHEMBL7119976 0.82 NANP (0.39) ST6GAL1MAGLMNATHRBMTOR
Sialic Acid SCHEMBL29668373 0.81 ST6GAL1 (0.50) ST6GAL1NANP
Sialic Acid SCHEMBL30081457 0.81 ST6GAL1 (0.50) ST6GAL1NANP
Sialic Acid SCHEMBL21068057 0.81 ST6GAL1 (0.50) ST6GAL1NANP
Sialic Acid SCHEMBL30081458 0.81 ST6GAL1 (0.50) ST6GAL1NANP
Cytarabine 5'-Phosphate SCHEMBL5094677 0.81 ST6GAL1 (0.50) ST6GAL1
Sialic Acid SCHEMBL2296552 0.81 ST6GAL1 (0.50) ST6GAL1NANP
Sialic Acid SCHEMBL28452247 0.81 ST6GAL1 (0.54) ST6GAL1
SCHEMBL19423350 0.81 ST6GAL1 (0.42) ST6GAL1LMNATHRBMTORMDM2

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
US-6518418-B1 Nucleotide sugars THE SCRIPPS RESEARCH INSTITUTE 2003-02-11 US disclosed