SCHEMBL29951855

SCHEMBL29951855

O=CCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.69
HTT P42858 1/20 0.65
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KEAP1 Q14145 3/20 0.59
NFE2L2 Q16236 3/20 0.59
FAAH O00519 1/20 0.54
FOLH1 Q04609 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL8811162 1.00 TGM2 (0.69) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL8988858 1.00 TGM2 (0.69) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL6444628 1.00 TGM2 (0.69) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL3725943 0.99 HTT (0.67) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL735886 0.94 HTT (0.68) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.89 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.89 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.89 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL7877730 0.88 HTT (0.72) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL736590 0.88 LMNA (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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed