SCHEMBL8050464

SCHEMBL8050464

COP(=O)(O)C(O)(CCCN)P(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 17/20 0.68
PDE3A Q14432 2/20 0.68
LMNA P02545 2/20 0.50
ADRB3 P13945 1/20 0.50
PDE4D Q08499 1/20 0.50
GGPS1 O95749 6/20 0.46
GABBR2 O75899 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
BLM P54132 1/20 0.39

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
SCHEMBL8052760 0.93 FDPS (0.70) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8050321 0.92 FDPS (0.61) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8048739 0.83 FDPS (0.62) FDPSPDE3AGGPS1
SCHEMBL13409732 0.82 FDPS (0.76) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL6669236 0.82 FDPS (0.63) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL18898 0.82 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL6270347 0.82 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9513220 0.81 FDPS (0.58) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8038317 0.80 FDPS (0.58) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL177948 0.80 FDPS (0.66) FDPSPDE3ALMNAADRB3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563096-B1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 2000-05-03 EP disclosed
US-5438048-A Used for treatment of disorders related to metabolism of calcium and other bivalent metals; treats bone cancer, urolithiasis, rheumatoid arthritis, bone infection and bone degradation LEIRAS OY (FI) 1995-08-01 US disclosed
WO-1992011267-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed