SCHEMBL5314547

SCHEMBL5314547

CCCON=C(COc1cc(CC(=O)O)cc(OCC)c1)c1cccc(Oc2ccc(OC)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PLA2G4B P0C869 4/20 0.41
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 3/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PGR P06401 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KMT2A Q03164 1/20 0.37
FABP1 P07148 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5314541 1.00 LMNA (0.41) LMNAPLA2G4BMAPK1L3MBTL1FFAR1
SCHEMBL5315206 0.94 FFAR1 (0.41) LMNAPLA2G4BMAPK1L3MBTL1FFAR1
SCHEMBL5315205 0.94 FFAR1 (0.41) LMNAPLA2G4BMAPK1L3MBTL1FFAR1
SCHEMBL5315056 0.92 PLA2G4B (0.49) LMNAPLA2G4BFFAR1PKMHTT
SCHEMBL5315053 0.92 PLA2G4B (0.49) LMNAPLA2G4BFFAR1PKMHTT
SCHEMBL14530608 0.91 PLA2G4B (0.38) LMNAPLA2G4BFFAR1PKMHTT
SCHEMBL5315653 0.88 LMNA (0.44) LMNAFFAR1PKMHTTPGR
SCHEMBL5315649 0.88 LMNA (0.44) LMNAFFAR1PKMHTTPGR
SCHEMBL5335188 0.88 FFAR1 (0.43) LMNAPLA2G4BMAPK1L3MBTL1FFAR1
SCHEMBL5335192 0.88 FFAR1 (0.43) LMNAPLA2G4BMAPK1L3MBTL1FFAR1

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