SCHEMBL9114705

SCHEMBL9114705

COCCC(C(C(=O)O)P(=O)(O)O)C(C(=O)O)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.39
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
DDAH1 O94760 1/20 0.32
GLUL P15104 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 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
SCHEMBL8843068 0.80 PGK1 (0.35) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9114706 0.76 FDPS (0.52) FOLH1
SCHEMBL8842649 0.76 ALDH1A1 (0.37) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9115882 0.75 FOLH1 (0.42) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9117128 0.74 LAP3 (0.41) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9116738 0.73 FOLH1 (0.41) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9116720 0.73 FDPS (0.55)
SCHEMBL31475487 0.72 FOLH1 (0.48) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9115862 0.72 FOLH1 (0.39) FOLH1NAALAD2GLUL
SCHEMBL9114695 0.72 FOLH1 (0.37) FOLH1NAALAD2GLUL

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-1995011249-A1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1995-04-27 WO disclosed