SCHEMBL8038121

SCHEMBL8038121

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TGM2 P21980 1/20 0.50
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
FOLH1 Q04609 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KYNU Q16719 1/20 0.43

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
SCHEMBL8050960 0.94 HTT (0.52) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL8049635 0.93 LMNA (0.57) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL8055648 0.88 HTT (0.53) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL3726894 0.88 HTT (0.60) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9193616 0.84 HTT (0.48) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL7670412 0.84 HTT (0.53) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9849581 0.83 HTT (0.47) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL8050193 0.82 HTT (0.54) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL8050092 0.81 LMNA (0.55) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9190230 0.81 HTT (0.48) HTTLMNASMN1; SMN2TGM2L3MBTL1

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