SCHEMBL8056545

SCHEMBL8056545

CCOP(=O)(O)C(O)(CCNC(=O)OCc1ccccc1)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
FDPS P14324 3/20 0.44
TGM2 P21980 1/20 0.43
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42

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
SCHEMBL8038108 0.95 LMNA (0.54) LMNASMN1; SMN2HTTHSD17B10L3MBTL1
SCHEMBL8055648 0.89 HTT (0.53) LMNASMN1; SMN2HTTHSD17B10L3MBTL1
SCHEMBL9190671 0.88 LMNA (0.58) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8049635 0.83 LMNA (0.57) LMNASMN1; SMN2HTTHSD17B10L3MBTL1
SCHEMBL3726894 0.81 HTT (0.60) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8050193 0.81 HTT (0.54) LMNASMN1; SMN2HTTHSD17B10L3MBTL1
SCHEMBL8050092 0.80 LMNA (0.55) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL9189677 0.79 LMNA (0.44) LMNASMN1; SMN2HTTHSD17B10L3MBTL1
SCHEMBL1442202 0.78 LMNA (0.56) LMNASMN1; SMN2HTTHSD17B10L3MBTL1
SCHEMBL7670412 0.77 HTT (0.53) LMNASMN1; SMN2HTTL3MBTL1MAPT

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