SCHEMBL2385809

SCHEMBL2385809

CCCCCCCC/C=C\CCCCCCCC(=O)OCCc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.54
PSMB11 A5LHX3 1/20 0.54
PSMA7 O14818 1/20 0.54
PSMB1 P20618 1/20 0.54
PSMA1 P25786 1/20 0.54
PSMA2 P25787 1/20 0.54
PSMA3 P25788 1/20 0.54
PSMA4 P25789 1/20 0.54
PSMB8 P28062 1/20 0.54
PSMB9 P28065 1/20 0.54
PSMA5 P28066 1/20 0.54
PSMB4 P28070 1/20 0.54
PSMB6 P28072 1/20 0.54
PSMB5 P28074 1/20 0.54
PSMB10 P40306 1/20 0.54
PSMB3 P49720 1/20 0.54
PSMB2 P49721 1/20 0.54
PSMA6 P60900 1/20 0.54
PSMA8 Q8TAA3 1/20 0.54
PSMB7 Q99436 1/20 0.54

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
SCHEMBL2385815 1.00 MGLL (0.54) MGLLPSMB11PSMA7PSMB1PSMA1
SCHEMBL29111127 0.92 DGKA (0.64) DGKAALDH1A1TRPV1ESR1ADRA2A
SCHEMBL29111126 0.92 DGKA (0.64) DGKAALDH1A1TRPV1ESR1ADRA2A
SCHEMBL16681273 0.92 DGKA (0.64) DGKAALDH1A1TRPV1ESR1ADRA2A
SCHEMBL30516315 0.92 DGKA (0.64) DGKAALDH1A1TRPV1ESR1ADRA2A
SCHEMBL15015438 0.92 DGKA (0.64) DGKAALDH1A1TRPV1ESR1ADRA2A
SCHEMBL9547798 0.91 DGKA (0.61) DGKAALDH1A1MAPTTRPV1ESR1
SCHEMBL2387062 0.89 CNR1 (0.55) MGLLDGKACNR1ALDH1A1MAPT
SCHEMBL2387072 0.89 CNR1 (0.55) MGLLDGKACNR1ALDH1A1MAPT
SCHEMBL28380918 0.88 EPHX2 (0.59) MGLLDGKACNR1ALDH1A1MAPT

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-8465939-B2 Aging-related circulating particle-associated lipoprotein B oxidase (apoBNOX) and inhibitors thereof NOX TECHNOLOGIES, INC. (US) 2013-06-18 US disclosed
US-20110217401-A1 Aging-Related Circulating Particle-Associated Lipoprotein B Oxidase (apoBNOX) and Inhibitors Thereof NOX TECHNOLOGIES, INC. 2011-09-08 US disclosed