SCHEMBL10318019

SCHEMBL10318019

CC(COC(=O)C(N)Cc1ccc(O)c(O)c1)OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.51
ALOX15 P16050 4/20 0.51
KDM4E B2RXH2 3/20 0.51
RECQL P46063 3/20 0.51
HIF1A Q16665 3/20 0.51
HSD17B10 Q99714 3/20 0.51
USP2 O75604 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
HTR2A P28223 2/20 0.51
PTGS2 P35354 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
PTGS1 P23219 1/20 0.51
ALOX12 P18054 3/20 0.40
ESR1 P03372 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 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
SCHEMBL2311992 1.00 SLC7A5 (0.51) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL3411781 1.00 SLC7A5 (0.51) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL1172012 0.95 SLC7A5 (0.46) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL8230342 0.91 SLC7A5 (0.40) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL3412205 0.91 SLC7A5 (0.51) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL15120465 0.88 ALOX15 (0.42) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL12646488 0.84 LCK (0.42) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL9883712 0.84 LCK (0.42) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL11750741 0.83 ALOX15 (0.60) SLC7A5ALOX15KDM4ERECQLHIF1A
SCHEMBL12646479 0.81 CA1 (0.40) ALOX15KDM4ERECQLHIF1AHSD17B10

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-1959948-B1 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF XENOPORT INC (US) 2012-07-18 EP claimed