SCHEMBL7064121

SCHEMBL7064121

O=C(O)C/C=C\CCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.63
HTT P42858 1/20 0.63
FAAH O00519 1/20 0.58
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KEAP1 Q14145 2/20 0.54
NFE2L2 Q16236 2/20 0.54
FOLH1 Q04609 4/20 0.51
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
EPHX2 P34913 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 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
SCHEMBL7064126 1.00 TGM2 (0.63) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL11997141 0.86 TGM2 (0.64) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL15346534 0.85 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.85 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.85 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL8988858 0.84 TGM2 (0.69) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL6444628 0.84 TGM2 (0.69) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL8811162 0.84 TGM2 (0.69) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL29951855 0.84 TGM2 (0.69) TGM2HTTFAAHLMNASMN1; SMN2
SCHEMBL6523296 0.84 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
US-6617332-B1 Cyclic amidinourea derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-09-09 US disclosed