SCHEMBL6029233

SCHEMBL6029233

NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C1=C(O)C(CCc2ccccc2)=NC1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.47
FFAR4 Q5NUL3 4/20 0.47
LTA4H P09960 3/20 0.46
LAP3 P28838 1/20 0.46
LNPEP Q9UIQ6 3/20 0.45
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
AKR1B1 P15121 1/20 0.42

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
SCHEMBL4663283 0.75 FFAR1 (0.46) FFAR1FFAR4LTA4HLAP3LNPEP
SCHEMBL4663289 0.75 FFAR1 (0.46) FFAR1FFAR4LTA4HLAP3LNPEP
SCHEMBL4663286 0.75 FFAR1 (0.46) FFAR1FFAR4LTA4HLAP3LNPEP
SCHEMBL4663056 0.74 FFAR1 (0.46) FFAR1FFAR4LTA4HLAP3LNPEP
SCHEMBL659105 0.73 SLC7A5 (0.69) FFAR1FFAR4LTA4HLAP3PPARG
SCHEMBL515522 0.73 SLC7A5 (0.69) FFAR1FFAR4LTA4HLAP3PPARG
SCHEMBL288912 0.73 SLC7A5 (0.69) FFAR1FFAR4LTA4HLAP3PPARG
SCHEMBL17738622 0.72 LTA4H (0.64) FFAR1FFAR4LTA4HLAP3LNPEP
SCHEMBL14559932 0.72 LTA4H (0.64) FFAR1FFAR4LTA4HLAP3LNPEP
SCHEMBL2603686 0.72 LTA4H (0.64) FFAR1FFAR4LTA4HLAP3LNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed