SCHEMBL13664696

SCHEMBL13664696

COCC(NCCCNC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
TGM2 P21980 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
FOLH1 Q04609 2/20 0.49
MAPT P10636 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48

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
SCHEMBL28645265 0.93 LMNA (0.58) HTTLMNASMN1; SMN2CA1CA2
SCHEMBL13664875 0.89 HTT (0.58) HTTLMNASMN1; SMN2CA1CA2
SCHEMBL7268833 0.87 HTT (0.55) HTTLMNASMN1; SMN2
SCHEMBL7268829 0.87 HTT (0.55) HTTLMNASMN1; SMN2
SCHEMBL22166825 0.82 HTT (0.68) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL2059433 0.81 HTT (0.58) HTTLMNASMN1; SMN2CA1CA2
SCHEMBL7209805 0.81 HTT (0.64) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL344091 0.81 LMNA (0.50) HTTLMNASMN1; SMN2CA1CA2
SCHEMBL344090 0.81 LMNA (0.50) HTTLMNASMN1; SMN2CA1CA2
SCHEMBL7270294 0.81 CAPN1 (0.59) HTTFOLH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed