SCHEMBL8528293

SCHEMBL8528293

NCCCCC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.42
PDE3A Q14432 2/20 0.36
FOLH1 Q04609 1/20 0.35
ODC1 P11926 2/20 0.33
GSR P00390 1/20 0.33
LMNA P02545 3/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
ADRB3 P13945 1/20 0.31
PDE4D Q08499 1/20 0.31
SMPD1 P17405 2/20 0.30

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
SCHEMBL8531643 0.89 FOLH1 (0.38) FDPSPDE3AFOLH1LMNAADRB3
SCHEMBL8531359 0.86 FOLH1 (0.36) FOLH1
SCHEMBL8532196 0.84 FOLH1 (0.37) FOLH1
SCHEMBL8529077 0.84 GGPS1 (0.45) FDPSSMPD1
SCHEMBL8866988 0.83 FDPS (0.40) FDPSFOLH1SMPD1
SCHEMBL8528278 0.77 FOLH1 (0.41) FOLH1
SCHEMBL8532441 0.77 FOLH1 (0.36) FOLH1
SCHEMBL8532219 0.76 FOLH1 (0.35) FOLH1
SCHEMBL22770 0.76 FOLH1 (0.44) FOLH1LMNABLM
SCHEMBL8529495 0.76 FOLH1 (0.40) FOLH1

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