SCHEMBL9114720

SCHEMBL9114720

CC(C)C(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 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 1/20 0.39
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
FOLH1 Q04609 2/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9115400 0.79 TP53 (0.38) LAP3TP53FOLH1GRIN2DGRIN3B
SCHEMBL4093592 0.78 FOLH1 (0.40) FOLH1MEN1LMNAHPGDTSHR
SCHEMBL10442157 0.77 TP53 (0.43) LAP3TP53FOLH1GRIN2DGRIN3B
SCHEMBL7521763 0.77 TP53 (0.36) LAP3TP53FOLH1GRIN2DGRIN3B
Water SCHEMBL11413207 0.75 FOLH1 (0.39) FOLH1MEN1LMNAHPGDTSHR
SCHEMBL11559503 0.75 TP53 (0.35) LAP3TP53FOLH1GRIN2DGRIN3B
SCHEMBL11338645 0.75 TP53 (0.35) LAP3TP53FOLH1GRIN2DGRIN3B
SCHEMBL11334546 0.71 FOLH1 (0.43) FOLH1
SCHEMBL490758 0.71 TP53 (0.32) LAP3TP53FOLH1
SCHEMBL180909 0.70 FOLH1 (0.36) FOLH1GRIN2DGRIN3BGRIN1GRIN2A

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