SCHEMBL6532243

SCHEMBL6532243

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
HTR2A P28223 5/20 0.34
PPARG P37231 9/20 0.33
PPARA Q07869 9/20 0.33
MAOB P27338 1/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL6533599 0.93 PPARG (0.39) MMEACECPA1ACE2HTR2A
SCHEMBL6532383 0.91 PPARG (0.40) PPARGPPARAROCK2ROCK1MMP1
SCHEMBL6534035 0.89 ACACB (0.38) PPARGPPARAMAOBROCK2ROCK1
SCHEMBL6532684 0.85 PPARG (0.38) PPARGPPARAROCK2ROCK1
SCHEMBL6533257 0.85 ROCK2 (0.34) PPARGPPARAMAOBROCK2
SCHEMBL6532334 0.84 PPARG (0.35) PPARGPPARA
SCHEMBL6532874 0.84 PPARG (0.40) PPARGPPARAROCK2ROCK1MMP1
SCHEMBL6532609 0.84 PPARG (0.47) PPARGPPARAMMP1MMP2MMP9
SCHEMBL6532514 0.83 CXCR1 (0.34) PPARGPPARA
SCHEMBL6533886 0.82 PPARG (0.36) PPARGPPARAROCK1

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