SCHEMBL6924985

SCHEMBL6924985

O=P(O)(O)OCC(CO)OP(=O)(O)OCC(O)CO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
LPAR5 Q9H1C0 2/20 0.37
PGD P52209 3/20 0.37
MPI P34949 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SELP P16109 1/20 0.36
LPAR1 Q92633 3/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR6 P43657 1/20 0.35
LPAR4 Q99677 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
ENPP2 Q13822 1/20 0.35
S1PR1 P21453 1/20 0.33

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
SCHEMBL24705822 0.83 LPAR5 (0.46) PGK1PGK2LPAR5PGDMPI
SCHEMBL12281492 0.83 LPAR5 (0.46) PGK1PGK2LPAR5PGDMPI
SCHEMBL12283377 0.83 LPAR5 (0.46) PGK1PGK2LPAR5PGDMPI
SCHEMBL12284731 0.83 LPAR5 (0.46) PGK1PGK2LPAR5PGDMPI
SCHEMBL12282822 0.83 LPAR5 (0.46) PGK1PGK2LPAR5PGDMPI
SCHEMBL213379 0.83 PGK1 (0.52) PGK1PGK2LPAR5PGDMPI
SCHEMBL7340 0.83 PGK1 (0.52) PGK1PGK2LPAR5PGDMPI
SCHEMBL14278847 0.83 PGK1 (0.52) PGK1PGK2LPAR5PGDMPI
SCHEMBL14278848 0.83 PGK1 (0.52) PGK1PGK2LPAR5PGDMPI
SCHEMBL7341 0.83 PGK1 (0.52) PGK1PGK2LPAR5PGDMPI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242440-A4 USE OF NICOTINAMIDE ADENINE DINUCLEOTIDE (NAD) AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (NADP) ANALOGS TO MEASURE ENZYME ACTIVITIES, METABOLITES AND SUBSTRATES SPECIALTY ASSAYS INC (US) 2003-01-15 EP disclosed
EP-1242440-A2 USE OF NICOTINAMIDE ADENINE DINUCLEOTIDE (NAD) AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (NADP) ANALOGS TO MEASURE ENZYME ACTIVITIES, METABOLITES AND SUBSTRATES Specialty Assays, Inc. (US) 2002-09-25 EP disclosed
WO-2001049247-A2 ASSAYS FOR ANALYTES AND ENZYMES PRACTICED IN THE PRESENCE OF NAD AND NADP ANALOGUES, AND RELATED ASSAY KITS SPECIALTY ASSAYS, INC. (US) 2001-07-12 WO disclosed