SCHEMBL28085520

SCHEMBL28085520

O=C(O)[CH]CCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.67
HTT P42858 1/20 0.63
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KEAP1 Q14145 2/20 0.57
NFE2L2 Q16236 2/20 0.57
FAAH O00519 1/20 0.53
FOLH1 Q04609 3/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 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
SCHEMBL9874334 0.88 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.88 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.88 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL8988858 0.87 TGM2 (0.69) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL8811162 0.87 TGM2 (0.69) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL6444628 0.87 TGM2 (0.69) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL29951855 0.87 TGM2 (0.69) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.87 HTT (0.81) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL7348870 0.86 TGM2 (0.61) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL3725943 0.86 HTT (0.67) TGM2HTTLMNASMN1; SMN2KEAP1

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
CN-105797168-A Compositions and method for treatment of autoimmune and other diseases 天蓝制药公司 2016-07-27 CN disclosed