SCHEMBL5310046

SCHEMBL5310046

CON=C(COc1cccc(CC(=O)O)c1)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.46
PTPN7 P35236 1/20 0.45
PPARD Q03181 2/20 0.44
FFAR1 O14842 2/20 0.44
PPARG P37231 4/20 0.44
POLB P06746 2/20 0.44
NCOA2 Q15596 2/20 0.44
NCOA1 Q15788 2/20 0.44
NCOA3 Q9Y6Q9 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR1H4 Q96RI1 2/20 0.43
PPARA Q07869 2/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GPR183 P32249 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL5310042 1.00 PLA2G4B (0.46) PLA2G4BPTPN7PPARDFFAR1PPARG
SCHEMBL5314655 0.89 PLA2G4B (0.47) PLA2G4BPTPN7PPARDPPARGPOLB
SCHEMBL5314652 0.89 PLA2G4B (0.47) PLA2G4BPTPN7PPARDPPARGPOLB
SCHEMBL5331241 0.87 PLA2G4B (0.50) PLA2G4BPTPN7PPARDPPARGPOLB
SCHEMBL5331237 0.87 PLA2G4B (0.50) PLA2G4BPTPN7PPARDPPARGPOLB
SCHEMBL5315685 0.87 FFAR1 (0.49) PLA2G4BPPARDFFAR1KMT2ALMNA
SCHEMBL5315690 0.87 FFAR1 (0.49) PLA2G4BPPARDFFAR1KMT2ALMNA
SCHEMBL5313319 0.82 PTPN7 (0.52) PLA2G4BPTPN7PPARDPPARGPOLB
SCHEMBL5313039 0.81 PPARG (0.44) PLA2G4BFFAR1PPARGMEN1KMT2A
SCHEMBL5313036 0.81 PPARG (0.44) PLA2G4BFFAR1PPARGMEN1KMT2A

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 disclosed