SCHEMBL5316935

SCHEMBL5316935

CCO/N=C(\COc1cc(CC(=O)O)cc(OC(C)C)c1)c1cccc(Oc2ccccc2)c1.CCO/N=C(\COc1cccc(CC(=O)O)c1)c1cccc(Oc2ccccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.37
PPARG P37231 1/20 0.37
PLA2G4B P0C869 1/20 0.35
MGLL Q99685 1/20 0.35
GCK P35557 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
LOXL2 Q9Y4K0 3/20 0.34
DRD4 P21917 2/20 0.34
LOX P28300 2/20 0.34
DRD2 P14416 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL5310840 0.91 PPARG (0.43) FFAR1PPARGPLA2G4BMGLLLOXL2
SCHEMBL5313546 0.91 FFAR1 (0.42) FFAR1GCKKDM4ELMNA
SCHEMBL5310838 0.91 PPARG (0.43) FFAR1PPARGPLA2G4BMGLLLOXL2
SCHEMBL5313544 0.91 FFAR1 (0.42) FFAR1GCKKDM4ELMNA
SCHEMBL5314076 0.88 FFAR1 (0.38) FFAR1PPARGMGLLGCKKDM4E
SCHEMBL5314073 0.88 FFAR1 (0.38) FFAR1PPARGMGLLGCKKDM4E
SCHEMBL5316939 0.87 PPARG (0.37) FFAR1PPARGGCKKDM4ELMNA
SCHEMBL5310255 0.84 FFAR1 (0.47) FFAR1PPARGPLA2G4BKDM4E
SCHEMBL5310252 0.84 FFAR1 (0.47) FFAR1PPARGPLA2G4BKDM4E
SCHEMBL5312135 0.84 FFAR1 (0.41) FFAR1PPARGPLA2G4BGCKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO claimed