SCHEMBL8050193

SCHEMBL8050193

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TGM2 P21980 1/20 0.49
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL8055648 0.90 HTT (0.53) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL7670412 0.85 HTT (0.53) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL3726894 0.84 HTT (0.60) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL8038121 0.82 HTT (0.55) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL8038108 0.82 LMNA (0.54) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL8050960 0.82 HTT (0.52) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9190225 0.82 HTT (0.45) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9193612 0.81 HTT (0.46) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9190688 0.81 HSD17B10 (0.44) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL8050092 0.81 LMNA (0.55) HTTLMNASMN1; SMN2TGM2KEAP1

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 2 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