SCHEMBL13588692

SCHEMBL13588692

NCCc1ccc(O)c(-c2cc(CC(N)C(=O)O)ccc2O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.65
KDM4E B2RXH2 3/20 0.65
PTGS1 P23219 3/20 0.65
RECQL P46063 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
ALOX15 P16050 2/20 0.65
HIF1A Q16665 2/20 0.65
HSD17B10 Q99714 2/20 0.65
USP2 O75604 1/20 0.65
EGFR P00533 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
HTR2A P28223 1/20 0.65
PTGS2 P35354 1/20 0.65
BACE1 P56817 3/20 0.55
ADRA2A P08913 2/20 0.49
MAPT P10636 2/20 0.49
DRD2 P14416 2/20 0.49
DRD1 P21728 2/20 0.49

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
SCHEMBL2767910 0.91 SLC7A5 (0.77) SLC7A5KDM4EPTGS1RECQLTDP1
SCHEMBL338068 0.91 SLC7A5 (0.77) SLC7A5KDM4EPTGS1RECQLTDP1
SCHEMBL29508389 0.91 SLC7A5 (0.77) SLC7A5KDM4EPTGS1RECQLTDP1
Levodopa SCHEMBL5494247 0.90 SLC7A5 (0.82) SLC7A5KDM4EPTGS1RECQLTDP1
Levodopa SCHEMBL5494243 0.90 SLC7A5 (0.82) SLC7A5KDM4EPTGS1RECQLTDP1
Levodopa SCHEMBL1491625 0.90 SLC7A5 (0.82) SLC7A5KDM4EPTGS1RECQLTDP1
Levodopa SCHEMBL1491628 0.90 SLC7A5 (0.82) SLC7A5KDM4EPTGS1RECQLTDP1
Levodopa SCHEMBL28992922 0.88 SLC7A5 (0.79) SLC7A5KDM4EPTGS1RECQLTDP1
SCHEMBL9924695 0.85 SLC7A5 (0.69) SLC7A5KDM4EPTGS1RECQLTDP1
SCHEMBL29364864 0.85 SLC7A5 (0.69) SLC7A5KDM4EPTGS1RECQLTDP1

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
US-8318171-B2 Neurotoxic oligomers PRANA BIOTECHNOLOGY LIMITED (AU) 2012-11-27 US disclosed
US-20090297538-A1 NEUROTOXIC OLIGOMERS PRANA BIOTECHNOLOGY LIMITED (AU) 2009-12-03 US disclosed