SCHEMBL8050312

SCHEMBL8050312

CCOP(=O)(O)C(O)(CCN)P(=O)(O)OCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 15/20 0.54
PDE3A Q14432 2/20 0.54
LMNA P02545 1/20 0.54
ADRB3 P13945 1/20 0.54
PDE4D Q08499 1/20 0.54
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARD Q03181 1/20 0.36
TSHR P16473 1/20 0.36
GGPS1 O95749 3/20 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
SCHEMBL8049638 0.92 FDPS (0.61) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8048221 0.82 FDPS (0.50) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8038317 0.79 FDPS (0.58) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL15022604 0.78 FDPS (0.38) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8038000 0.74 FDPS (0.47) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8038146 0.74 FDPS (0.47) FDPSPDE3ACA12CA1CA2
SCHEMBL9115357 0.73 TSHR (0.46) FDPSLMNACA12CA1CA2
SCHEMBL8048146 0.73 FDPS (0.60) FDPSPDE3AGGPS1
SCHEMBL20178996 0.72 LMNA (0.52) FDPSLMNACA12CA1CA2
SCHEMBL11737002 0.72 TSHR (0.43) FDPSLMNACA12CA1CA2

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