SCHEMBL2384901

SCHEMBL2384901

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.48
▸ CNR1 P21554 5/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ THRA P10827 1/20 0.43
▸ ATM Q13315 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ MET P08581 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL2386952 1.00 THRB (0.48) THRBCNR1CNR2THRAATM
SCHEMBL2384898 1.00 THRB (0.48) THRBCNR1CNR2THRAATM
SCHEMBL2386951 1.00 THRB (0.48) THRBCNR1CNR2THRAATM
(2E)-Hexenoic Acid SCHEMBL2384903 0.93 CNR1 (0.44) THRBCNR1CNR2THRAHTR1A
SCHEMBL2385802 0.89 MET (0.52) CNR1CNR2KDM4ECA12CA1
SCHEMBL2385804 0.89 MET (0.52) CNR1CNR2KDM4ECA12CA1
SCHEMBL2386502 0.89 MET (0.52) CNR1CNR2KDM4ECA12CA1
SCHEMBL2386505 0.89 MET (0.52) CNR1CNR2KDM4ECA12CA1
SCHEMBL2385754 0.87 LTA4H (0.48) METHTR1A
SCHEMBL2383978 0.87 LTA4H (0.48) METHTR1A

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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