SCHEMBL5822018

SCHEMBL5822018

CCc1ccc(CCOc2ccc(COCC(=O)O)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.54
RXRA P19793 2/20 0.53
CYP3A4 P08684 1/20 0.53
PLA2G4B P0C869 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
RXRB P28702 1/20 0.43
MAPT P10636 1/20 0.41
FFAR1 O14842 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1162595 0.84 LMNA (0.63) PPARGRXRACYP3A4L3MBTL1LMNA
SCHEMBL943063 0.82 PPARG (0.58) PPARGRXRACYP3A4PLA2G4BRXRB
SCHEMBL14855164 0.79 LMNA (0.62) RXRAPLA2G4BL3MBTL1LMNARXRB
SCHEMBL13886146 0.79 PLA2G4B (0.64) PLA2G4BL3MBTL1LMNAKDM4ECYP1A2
SCHEMBL4325068 0.79 PPARG (0.55) PPARGRXRACYP3A4LMNAKDM4E
SCHEMBL7905732 0.78 PPARG (0.54) PPARGRXRACYP3A4LMNAMAPT
Oxalic Acid SCHEMBL5167729 0.78 HPGD (0.57) PPARGRXRACYP3A4L3MBTL1LMNA
SCHEMBL7905734 0.78 PPARG (0.54) PPARGRXRACYP3A4LMNAMAPT
SCHEMBL2007617 0.78 FFAR1 (0.56) PPARGRXRACYP3A4L3MBTL1LMNA
SCHEMBL943621 0.78 PPARG (0.56) PPARGRXRACYP3A4L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006082495-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO claimed
WO-2006082495-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO disclosed