SCHEMBL4555875

SCHEMBL4555875

O=C(O)[C@@H]([AsH2])Cc1ccc(O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.66
KDM4E B2RXH2 7/20 0.64
HSD17B10 Q99714 6/20 0.64
TDP1 Q9NUW8 6/20 0.64
ALOX15 P16050 5/20 0.64
RECQL P46063 5/20 0.64
HIF1A Q16665 4/20 0.64
USP2 O75604 3/20 0.64
LCK P06239 3/20 0.64
ADORA3 P0DMS8 2/20 0.64
HTR2A P28223 2/20 0.64
PTGS2 P35354 2/20 0.64
FYN P06241 2/20 0.64
EGFR P00533 2/20 0.64
PTGS1 P23219 1/20 0.64
SLC7A5 Q01650 1/20 0.64
PLA2G1B P04054 1/20 0.55
HPGD P15428 5/20 0.53
MAPT P10636 5/20 0.53
POLB P06746 4/20 0.53

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
SCHEMBL490593 0.82 KDM6B (0.72) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL6382667 0.81 KDM6B (0.70) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL18469325 0.79 KDM6B (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL29350434 0.79 KDM6B (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL29869020 0.79 KDM6B (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL829784 0.79 KDM6B (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL5691448 0.79 KDM6B (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL9827020 0.78 KDM6B (0.66) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL17414653 0.78 KDM6B (0.66) KDM6BKDM4EHSD17B10TDP1ALOX15
Levodopa SCHEMBL20582239 0.78 SLC7A5 (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15

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
EP-2125702-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE Xenoport, Inc. (US) 2009-12-02 EP disclosed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 WO disclosed