SCHEMBL29031898

SCHEMBL29031898

O=CC(O)C(O)C(O)C(O)CCP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.41
ENPEP Q07075 1/20 0.35
FOLH1 Q04609 1/20 0.32
TYMS P04818 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
S1PR2 O95136 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR4 O95977 4/20 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
SCHEMBL5059588 1.00 MPI (0.41) MPIENPEPFOLH1TYMSALDH1A1
SCHEMBL30472440 1.00 MPI (0.41) MPIENPEPFOLH1TYMSALDH1A1
SCHEMBL7044893 0.79 MPI (0.44) MPI
SCHEMBL1230614 0.76 FOLH1 (0.42) MPIENPEPFOLH1TYMSALDH1A1
SCHEMBL1230881 0.76 FOLH1 (0.42) MPIENPEPFOLH1TYMSALDH1A1
Demannose SCHEMBL23721809 0.75 LMNA (0.48) MPITDP1
Galactose SCHEMBL361095 0.75 LMNA (0.48) MPITDP1
Demannose SCHEMBL285569 0.75 LMNA (0.48) MPITDP1
Demannose SCHEMBL25381696 0.75 LMNA (0.48) MPITDP1
Demannose SCHEMBL6533561 0.75 LMNA (0.48) MPITDP1

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-116396340-A Synthesis method of 6, 7-dideoxy-7-diethyl phosphate-D-mannoheptulose trifluoroacetyl imine ester donor 中国药科大学 2023-07-07 CN disclosed