SCHEMBL1893385

SCHEMBL1893385

N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCCCOC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
EGFR P00533 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ALOX15 P16050 1/20 0.55
PTGS1 P23219 1/20 0.55
HTR2A P28223 1/20 0.55
PTGS2 P35354 1/20 0.55
RECQL P46063 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM6B O15054 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42

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
SCHEMBL22959852 0.84 ALOX15 (0.62) SLC7A5TDP1KDM4EUSP2EGFR
SCHEMBL22959859 0.84 ALOX15 (0.62) SLC7A5TDP1KDM4EUSP2EGFR
SCHEMBL16135503 0.84 ALOX15 (0.62) SLC7A5TDP1KDM4EUSP2EGFR
SCHEMBL7947874 0.81 ESR1 (0.60) SLC7A5TDP1KDM4EUSP2EGFR
SCHEMBL8257343 0.81 ALOX15 (0.57) SLC7A5TDP1KDM4EUSP2EGFR
SCHEMBL1068518 0.81 ALOX15 (0.57) SLC7A5TDP1KDM4EUSP2EGFR
SCHEMBL3411781 0.80 SLC7A5 (0.51) SLC7A5TDP1KDM4EUSP2EGFR
SCHEMBL10318019 0.80 SLC7A5 (0.51) SLC7A5TDP1KDM4EUSP2EGFR
SCHEMBL3412205 0.80 SLC7A5 (0.51) SLC7A5TDP1KDM4EUSP2EGFR
SCHEMBL2311992 0.80 SLC7A5 (0.51) SLC7A5TDP1KDM4EUSP2EGFR

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-2011056240-A2 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF A LEVODOPA PRODRUG AND METHODS OF USE XENOPORT, INC. (US) 2011-05-12 WO disclosed