SCHEMBL8090970

SCHEMBL8090970

O=C(O)CN(CCN(CC(=O)O)CC(Cc1ccc(OCc2ccccc2)cc1)N(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.57
FFAR1 O14842 3/20 0.50
ALOX5 P09917 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
LTA4H P09960 2/20 0.47
KEAP1 Q14145 1/20 0.46
LAP3 P28838 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8090958 0.91 FFAR1 (0.52) MAOBFFAR1
SCHEMBL8842423 0.89 MAOB (0.48) MAOBFFAR1ALOX5FFAR4PPARG
SCHEMBL2597563 0.88 TDP1 (0.42) MAOBKEAP1
SCHEMBL3108023 0.88 TDP1 (0.42) MAOBKEAP1
SCHEMBL2999347 0.88 TDP1 (0.42) MAOBKEAP1
SCHEMBL8092343 0.87 MAOB (0.41) MAOBFFAR1
Caloxetic Acid Free Base SCHEMBL92689 0.86 MAOB (0.43) MAOBALOX5PPARA
Caloxetic Acid Free Base SCHEMBL8412091 0.86 MAOB (0.43) MAOBALOX5PPARA
Caloxetic Acid Free Base SCHEMBL29375456 0.85 MAOB (0.42) MAOBALOX5PPARA
Caloxetic Acid Free Base SCHEMBL19667948 0.85 MAOB (0.42) MAOBALOX5PPARA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6039931-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-21 US claimed
US-5695739-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 US claimed
EP-0405704-B1 DTPA-complexes derivatives, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AG (DE) 1994-12-14 EP claimed
US-6039931-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-21 US disclosed
US-5798092-A METAL COMPLEXES; CONTRAST AGENTS FOR MEDICAL IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-25 US disclosed
US-5695739-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed