SCHEMBL6533599

SCHEMBL6533599

CC(=NOCc1ccc(F)cc1F)C(Cc1ccc(OC(c2ccc(CC(C)C)cc2)c2cn[nH]c2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.39
PPARA Q07869 15/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
MAOB P27338 1/20 0.34
HTR2A P28223 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 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
SCHEMBL6532243 0.93 MME (0.36) PPARGPPARAMMEACECPA1
SCHEMBL6532609 0.90 PPARG (0.47) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6532718 0.85 PPARG (0.43) PPARGPPARA
SCHEMBL6534118 0.84 PPARG (0.47) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6533025 0.84 PPARG (0.40) PPARGPPARAMAOB
SCHEMBL6532809 0.84 PPARG (0.49) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6532444 0.84 PPARG (0.52) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6532383 0.83 PPARG (0.40) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6530351 0.83 PTGS2 (0.38) PPARGPPARAHTR2A
SCHEMBL6534035 0.82 ACACB (0.38) PPARGPPARAMAOB

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-2005040127-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) 2005-05-06 WO claimed
WO-2005040127-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) 2005-05-06 WO disclosed