SCHEMBL8038129

SCHEMBL8038129

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 13/20 0.37
GGPS1 O95749 1/20 0.37
AGTR1 P30556 1/20 0.37
OPRM1 P35372 1/20 0.37
PDE3A Q14432 1/20 0.37
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23637448 0.82 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL8049781 0.80 FDPS (0.39) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL8050318 0.79 FDPS (0.45) FDPSGGPS1AGTR1OPRM1PDE3A
Olpadronic Acid SCHEMBL138988 0.76 FDPS (0.58) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL6664481 0.74 FDPS (0.54) FDPSGGPS1PDE3A
Olpadronic Acid SCHEMBL232124 0.74 FDPS (0.56) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL8050542 0.72 FDPS (0.52) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL14947007 0.72 FDPS (0.41) FDPSGGPS1PDE3AALDH1A1
SCHEMBL12631211 0.71 FDPS (0.49) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL132712 0.71 FDPS (0.57) FDPSGGPS1PDE3A

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-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
EP-0563096-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-10-06 EP disclosed
WO-1992011267-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed