SCHEMBL8528147

SCHEMBL8528147

O=C(O)C(CC(Cc1ccccc1)(C(=O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
LAP3 P28838 3/20 0.38
ANPEP P15144 3/20 0.38
PTPN1 P18031 3/20 0.38
ACP3 P15309 2/20 0.37
ERAP1 Q9NZ08 2/20 0.36
ERAP2 Q6P179 1/20 0.36
PTPRC P08575 1/20 0.36
GGPS1 O95749 2/20 0.35

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
SCHEMBL8527565 0.87 ACP3 (0.38) FDPSACP3
SCHEMBL8532197 0.86 ANPEP (0.41) FDPSLAP3ANPEPACP3ERAP1
SCHEMBL8528037 0.82 SLC1A3 (0.36) FDPS
SCHEMBL413306 0.82 FDPS (0.60) FDPSSMN1; SMN2HIF1APTPN1PTPRC
SCHEMBL8533532 0.81 FDPS (0.51) FDPSPTPN1
SCHEMBL8866944 0.80 SLC1A3 (0.36) PTPN1
SCHEMBL8531479 0.80 CYP2C19 (0.43) SMN1; SMN2
SCHEMBL8531881 0.78 SMN1; SMN2 (0.47) SMN1; SMN2HIF1A
SCHEMBL8529948 0.77 FDPS (0.55) FDPSANPEPERAP1ERAP2
SCHEMBL5362392 0.76 FDPS (0.53) FDPSSMN1; SMN2HIF1APTPN1PTPRC

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