SCHEMBL8532197

SCHEMBL8532197

O=C(O)C(CC(CCc1ccccc1)(C(=O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.41
ERAP1 Q9NZ08 2/20 0.41
ERAP2 Q6P179 2/20 0.41
ACP3 P15309 1/20 0.40
FDPS P14324 7/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
CA9 Q16790 1/20 0.37
KIF11 P52732 1/20 0.36
LAP3 P28838 1/20 0.36

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
SCHEMBL8533589 0.89 FDPS (0.40) ANPEPERAP1ERAP2FDPS
SCHEMBL8532177 0.88 FFAR1 (0.34) MMP1
SCHEMBL8529948 0.87 FDPS (0.55) ANPEPERAP1ERAP2FDPS
SCHEMBL8528147 0.86 FDPS (0.46) ANPEPERAP1ERAP2ACP3FDPS
SCHEMBL8530904 0.83 CYP1A2 (0.45) FDPS
SCHEMBL8745040 0.80 CYP2C19 (0.34) ANPEPERAP1ERAP2FDPS
SCHEMBL8745046 0.77 FDPS (0.41) FDPSKIF11
SCHEMBL8531643 0.76 FOLH1 (0.38) FDPS
SCHEMBL8529344 0.76 FDPS (0.44) FDPS
SCHEMBL8532196 0.75 FOLH1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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