SCHEMBL27726166

SCHEMBL27726166

CCC(N)=C(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.48
CES2 O00748 5/20 0.48
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
BLM P54132 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46
RECQL P46063 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6206988 0.81 CES1 (0.55) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL2638462 0.81 CES1 (0.46) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL27767833 0.80 CES2 (0.42) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL5698372 0.79 CES1 (0.52) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL27908851 0.79 CES1 (0.52) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL9818176 0.79 CES1 (0.52) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL27705645 0.78 LMNA (0.56) CES1CES2MAPTTDP1TSHR
SCHEMBL9818141 0.78 CES1 (0.50) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL8158420 0.78 CES1 (0.50) CES1CES2MAPTL3MBTL1CYP3A4
SCHEMBL20564213 0.78 CES1 (0.50) CES1CES2MAPTL3MBTL1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101200470-B Cyclo c-glycosides compounds, c-glycosides intermediates as well as preparation method and uses thereof CHINESE ACAD INST CHEMISTRY 2010-10-13 CN disclosed
CN-101200470-A Cyclo c-glycosides compounds, c-glycosides intermediates as well as preparation method and uses thereof CHINESE ACAD INST CHEMISTRY (CN) 2008-06-18 CN disclosed