SCHEMBL11997141

SCHEMBL11997141

O=C(NCCCCC/C=C/Cl)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.64
HTT P42858 1/20 0.60
FAAH O00519 1/20 0.60
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KEAP1 Q14145 3/20 0.55
NFE2L2 Q16236 3/20 0.55
FOLH1 Q04609 3/20 0.49
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MAPT P10636 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
SCHEMBL15346534 0.86 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.86 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.86 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL7064126 0.86 TGM2 (0.63) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL7064121 0.86 TGM2 (0.63) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL6444628 0.85 TGM2 (0.69) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL8811162 0.85 TGM2 (0.69) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL8988858 0.85 TGM2 (0.69) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL29951855 0.85 TGM2 (0.69) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL6523296 0.85 TGM2 (0.62) TGM2HTTFAAHLMNASMN1; SMN2

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
EP-2489655-A1 PROCESS FOR PREPARATION OF DIETHYLENETRIAMINEPENTAACETIC ACID DERIVATIVES, AND DIETHYLENETRIAMINEPENTAACETIC ACID DERIVATIVES The University of Tokushima (JP) 2012-08-22 EP disclosed