SCHEMBL8049635

SCHEMBL8049635

COP(=O)(O)C(O)(CCNC(=O)OCc1ccccc1)P(=O)(O)OC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TGM2 P21980 1/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KYNU Q16719 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44

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
SCHEMBL8038121 0.93 HTT (0.55) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8050092 0.89 LMNA (0.55) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8038108 0.88 LMNA (0.54) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8050960 0.87 HTT (0.52) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL9190671 0.87 LMNA (0.58) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8056545 0.83 LMNA (0.49) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8055648 0.81 HTT (0.53) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL18047950 0.80 LMNA (0.48) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL2520296 0.80 SMN1; SMN2 (0.63) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL5063193 0.80 LMNA (0.77) 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