SCHEMBL2386505

SCHEMBL2386505

CCCCCCCCCC=CC=CC=CC=CC=CC(=O)OCCc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.52
▸ CA12 O43570 2/20 0.52
▸ CA4 P22748 2/20 0.52
▸ CA6 P23280 2/20 0.52
▸ CA5A P35218 2/20 0.52
▸ CA7 P43166 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ CA14 Q9ULX7 2/20 0.52
▸ CA5B Q9Y2D0 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ AKR1B10 O60218 4/20 0.49
▸ AKR1B1 P15121 4/20 0.49
▸ MAOB P27338 1/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ TACR2 P21452 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46

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
SCHEMBL2385804 1.00 MET (0.52) METCA12CA4CA6CA5A
SCHEMBL2385802 1.00 MET (0.52) METCA12CA4CA6CA5A
SCHEMBL2386502 1.00 MET (0.52) METCA12CA4CA6CA5A
SCHEMBL2386952 0.89 THRB (0.48) METCA12CA4CA6CA5A
SCHEMBL2384898 0.89 THRB (0.48) METCA12CA4CA6CA5A
SCHEMBL2386951 0.89 THRB (0.48) METCA12CA4CA6CA5A
SCHEMBL2384901 0.89 THRB (0.48) METCA12CA4CA6CA5A
SCHEMBL2384841 0.87 APP (0.54) METKDM4EALDH1A1LMNATP53
SCHEMBL2384843 0.87 APP (0.54) METKDM4EALDH1A1LMNATP53
SCHEMBL2385829 0.87 APP (0.54) METKDM4EALDH1A1LMNATP53

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
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