SCHEMBL8230342

SCHEMBL8230342

Cc1ccc(C[C@H](N)C(=O)OC[C@@H](C)OC(=O)c2ccccc2)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 7/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS2 P35354 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2311992 0.91 SLC7A5 (0.51) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL3411781 0.91 SLC7A5 (0.51) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL10318019 0.91 SLC7A5 (0.51) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL1172012 0.86 SLC7A5 (0.46) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL3412205 0.82 SLC7A5 (0.51) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL15120465 0.80 ALOX15 (0.42) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL14617681 0.79 SLC7A5 (0.48) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL12646488 0.76 LCK (0.42) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL9883712 0.76 LCK (0.42) SLC7A5KDM4EUSP2EGFRLCK
SCHEMBL9958437 0.74 ALDH1A1 (0.52) SLC7A5KDM4EUSP2EGFRLCK

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-2007067495-A2 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF XENOPORT, INC. (US) 2007-06-14 WO disclosed