SCHEMBL8050318

SCHEMBL8050318

COP(=O)(O)C(O)(CCN(C)C)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 20/20 0.45
GGPS1 O95749 3/20 0.45
PDE3A Q14432 2/20 0.45
AGTR1 P30556 1/20 0.45
OPRM1 P35372 1/20 0.45
LMNA P02545 1/20 0.36
ADRB3 P13945 1/20 0.36
PDE4D Q08499 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
Olpadronic Acid SCHEMBL138988 0.84 FDPS (0.58) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL12631211 0.82 FDPS (0.49) FDPSGGPS1PDE3AAGTR1OPRM1
Olpadronic Acid SCHEMBL232124 0.82 FDPS (0.56) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL14044735 0.79 FDPS (0.77) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL16091907 0.79 FDPS (0.42) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL8038129 0.79 FDPS (0.37) FDPSGGPS1PDE3AAGTR1OPRM1
Olpadronic Acid SCHEMBL5717996 0.76 FDPS (0.55) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL8048739 0.76 FDPS (0.62) FDPSGGPS1PDE3AAGTR1OPRM1
Olpadronic Acid SCHEMBL9581942 0.76 FDPS (0.69) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL8050464 0.74 FDPS (0.68) FDPSGGPS1PDE3ALMNAADRB3

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