SCHEMBL12020152

SCHEMBL12020152

C=CC[C@H](OC=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.41
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSR P00390 1/20 0.35
CYP2D6 P10635 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5 P09917 1/20 0.33
GLS O94925 1/20 0.33
KMT2A Q03164 1/20 0.32
AKT1 P31749 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL4967613 0.81 GSR (0.37) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL11352241 0.80 AOC3 (0.41) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL8680427 0.80 CYP2C19 (0.50) CYP2C19SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL939842 0.80 CYP2C19 (0.50) CYP2C19SMN1; SMN2PPARGPPARAALDH1A1
Methane SCHEMBL28626702 0.79 CYP2C19 (0.48) CYP2C19SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL2907843 0.78 GSR (0.35) CYP2C19KDM4EALOX15GSRCYP2D6
SCHEMBL369647 0.77 CYP2C19 (0.47) CYP2C19SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL28422465 0.77 CYP2C19 (0.47) CYP2C19SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL27547164 0.77 CYP2C19 (0.52) CYP2C19SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL18236072 0.77 SMN1; SMN2 (0.47) CYP2C19SMN1; SMN2PPARGPPARAALDH1A1

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
EP-2491926-A1 Treatment of protein degradation disorders President and Fellows of Harvard College (US) 2012-08-29 EP disclosed