SCHEMBL22849066

SCHEMBL22849066

CN(C)CCCOCCCNC(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.54
TGM2 P21980 1/20 0.53
KEAP1 Q14145 3/20 0.52
NFE2L2 Q16236 3/20 0.52
FOLH1 Q04609 2/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ACHE P22303 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL17350365 0.91 HTT (0.67) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL6895403 0.89 HTT (0.65) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL17532634 0.88 LMNA (0.79) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL17854068 0.85 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL21997253 0.85 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL14772158 0.85 LMNA (0.65) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL14288941 0.84 LMNA (0.69) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL14288938 0.84 LMNA (0.69) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL21997180 0.84 LMNA (0.55) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL25030545 0.84 LMNA (0.73) LMNASMN1; SMN2HTTL3MBTL1MAPT

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
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed