SCHEMBL4965775

SCHEMBL4965775

NOC(=O)CCc1ccc(O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.68
IAPP P10997 3/20 0.57
YWHAG P61981 1/20 0.54
CYP19A1 P11511 1/20 0.54
TYR P14679 1/20 0.54
KDM4E B2RXH2 5/20 0.53
MAPT P10636 5/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ALOX15 P16050 2/20 0.53
ADRA2A P08913 2/20 0.53
DRD2 P14416 2/20 0.53
DRD1 P21728 2/20 0.53
DRD4 P21917 2/20 0.53
DRD5 P21918 2/20 0.53
SLC6A2 P23975 2/20 0.53
MAPK1 P28482 2/20 0.53
DRD3 P35462 2/20 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
SCHEMBL1894924 0.91 APP (0.57) APPIAPPYWHAGCYP19A1TYR
SCHEMBL3274537 0.82 APP (0.68) APPIAPPYWHAGCYP19A1TYR
SCHEMBL7568170 0.81 APP (1.00) APPIAPPYWHAGCYP19A1TYR
SCHEMBL925636 0.79 IAPP (0.62) APPIAPPYWHAGCYP19A1TYR
SCHEMBL30986806 0.79 IAPP (0.62) APPIAPPYWHAGCYP19A1TYR
SCHEMBL5606900 0.79 ESR1 (0.50) APPCYP19A1KDM4EMAPTTDP1
SCHEMBL29116446 0.79 APP (0.64) APPIAPPYWHAGCYP19A1TYR
SCHEMBL30291871 0.79 APP (0.73) APPIAPPYWHAGCYP19A1TYR
SCHEMBL22353624 0.79 APP (0.84) APPIAPPYWHAGCYP19A1TYR
SCHEMBL490911 0.79 APP (0.73) APPIAPPYWHAGCYP19A1TYR

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-1959948-A2 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF Xenoport, Inc. (US) 2008-08-27 EP disclosed
WO-2007067495-A2 LEVODOPA PRODRUG MESYLATE, COMPOSITIONS THEREOF, AND USES THEREOF XENOPORT, INC. (US) 2007-06-14 WO disclosed