SCHEMBL28166553

SCHEMBL28166553

C=CC(C)NC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 3/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 2/20 0.35
ACACB O00763 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1999790 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL9425855 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL28783802 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL2338033 0.80 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL22230499 0.79
SCHEMBL11130157 0.78 GAA (0.37) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL8850936 0.77 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL7874809 0.77
SCHEMBL2344865 0.76 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTGAAMGAM
SCHEMBL906813 0.76

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-107001861-A Two-part adhesive composition and the method for preparing adhesive composition 3M创新有限公司 2017-08-01 CN disclosed