SCHEMBL8055648

SCHEMBL8055648

CCOP(=O)(O)C(O)(CCCNC(=O)OCc1ccccc1)P(=O)(O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
TGM2 P21980 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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 0.93 LMNA (0.54) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL8050193 0.90 HTT (0.54) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL8056545 0.89 LMNA (0.49) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL8038121 0.88 HTT (0.55) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL7670412 0.86 HTT (0.53) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9193616 0.86 HTT (0.48) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9190230 0.86 HTT (0.48) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL3726894 0.86 HTT (0.60) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL8050960 0.83 HTT (0.52) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL13725441 0.82 HTT (0.59) HTTLMNASMN1; SMN2L3MBTL1MAPT

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