SCHEMBL8528407

SCHEMBL8528407

O=C(O)C(CC(C(=O)O)(c1ccccc1)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
FOLH1 Q04609 1/20 0.36
PGK1 P00558 2/20 0.36
PGK2 P07205 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.34
SRC P12931 1/20 0.34
KIF11 P52732 3/20 0.34
FDPS P14324 1/20 0.34
PTPN5 P54829 1/20 0.34
ACP3 P15309 1/20 0.34
ANPEP P15144 1/20 0.33
LAP3 P28838 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
SCHEMBL8529423 0.87 KIF11 (0.38) PTPN1FOLH1ALDH1A1GAAKIF11
SCHEMBL8531845 0.87 MEN1 (0.38) PTPN1FOLH1CYP1A2KIF11
SCHEMBL8527227 0.86 KIF11 (0.40) PTPN1FOLH1PGK1PGK2KIF11
SCHEMBL8532194 0.86 FDPS (0.45) CYP1A2FDPS
SCHEMBL8528275 0.85 PTPN1 (0.48) PTPN1KIF11ACP3
SCHEMBL8532545 0.83 KIF11 (0.40) PTPN1FOLH1KIF11
SCHEMBL8529288 0.83 PTPN5 (0.43) PTPN1GAAPTPN5
SCHEMBL8530829 0.83 ALDH1A1 (0.40) ALDH1A1GAA
SCHEMBL8531385 0.82 GRM4 (0.39) PTPN1ALDH1A1KIF11
SCHEMBL8532434 0.82 GRM4 (0.40) PTPN1FOLH1KIF11PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698541-A DISEASES OF CALCIUM METABOLISM; OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1997-12-16 US claimed
EP-0752999-B1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1998-10-28 EP disclosed
US-5698541-A DISEASES OF CALCIUM METABOLISM; OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1997-12-16 US disclosed
EP-0752999-A1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM Roche Diagnostics GmbH (DE) 1997-01-15 EP disclosed
WO-1995026358-A1 2,4-DIPHOSPHONOGLUTARIC ACID DERIVATIVES, METHODS OF PREPARING SUCH COMPOUNDS AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1995-10-05 WO disclosed