SCHEMBL2323162

SCHEMBL2323162

CC(C)COC(=O)Nc1ccc([C]=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
HPGD P15428 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
MCL1 Q07820 1/20 0.41

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
SCHEMBL6415967 0.86 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL2322638 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL10192028 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL718381 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL22550549 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL13995026 0.81 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL3042748 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL6810771 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL8602983 0.80 LMNA (0.74) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL20718178 0.79 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAHTTL3MBTL1

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed