SCHEMBL6532384

SCHEMBL6532384

COC(=O)C(Cc1ccc(OCc2cnn(-c3ccc(CC(C)C)cc3)c2)cc1)C(C)=NOCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.43
PPARA Q07869 10/20 0.43
ALKBH1 Q13686 1/20 0.39
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
MAOB P27338 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR34 Q9UPC5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 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
SCHEMBL6532872 0.93 PPARG (0.43) PPARGPPARAALKBH1MMEACE
SCHEMBL6532877 0.93 PPARG (0.43) PPARGPPARAALKBH1MMEACE
SCHEMBL6532687 0.93 LTA4H (0.43) PPARGPPARAMMEACECPA1
SCHEMBL6532682 0.93 LTA4H (0.43) PPARGPPARAMMEACECPA1
SCHEMBL6532611 0.93 PPARG (0.51) PPARGPPARAALKBH1MMEACE
SCHEMBL6532606 0.93 PPARG (0.51) PPARGPPARAALKBH1MMEACE
SCHEMBL6533259 0.92 PTGS2 (0.41) PPARGPPARAALKBH1MAOBPTGS2
SCHEMBL6533254 0.92 PTGS2 (0.41) PPARGPPARAALKBH1MAOBPTGS2
SCHEMBL6534033 0.92 MAOB (0.42) PPARGPPARAALKBH1MAOBGPR34
SCHEMBL6534036 0.92 MAOB (0.42) PPARGPPARAALKBH1MAOBGPR34

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-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