SCHEMBL20825713

SCHEMBL20825713

CC(C)(C)OC(=O)NCCCOCCNC(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
MAPT P10636 3/20 0.59
IDO1 P14902 1/20 0.57
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
SYK P43405 1/20 0.55
TGM2 P21980 1/20 0.51
KEAP1 Q14145 3/20 0.50
NFE2L2 Q16236 3/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 1/20 0.47
CNR2 P34972 1/20 0.47
ITGB3 P05106 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
SCHEMBL15738439 1.00 LMNA (0.71) LMNASMN1; SMN2MAPTIDO1HTT
SCHEMBL12196470 0.94 SMN1; SMN2 (0.76) LMNASMN1; SMN2MAPTIDO1HTT
SCHEMBL15746977 0.90 LMNA (0.70) LMNASMN1; SMN2MAPTIDO1HTT
SCHEMBL24383295 0.90 LMNA (0.63) LMNASMN1; SMN2MAPTIDO1HTT
SCHEMBL13480435 0.90 MAPT (0.65) LMNASMN1; SMN2MAPTIDO1HTT
SCHEMBL13938297 0.90 HTT (0.65) LMNASMN1; SMN2MAPTIDO1HTT
SCHEMBL20288399 0.90 LMNA (0.59) LMNASMN1; SMN2MAPTIDO1HTT
SCHEMBL30316999 0.89 SMN1; SMN2 (0.59) LMNASMN1; SMN2MAPTIDO1HTT
SCHEMBL15679441 0.89 MAPT (0.64) LMNASMN1; SMN2MAPTIDO1HTT
SCHEMBL13622021 0.89 IDO1 (0.56) LMNASMN1; SMN2MAPTIDO1HTT

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-2019052545-A1 CYCLIC PEPTIDE ANTIBIOTICS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-21 WO disclosed