SCHEMBL6533254

SCHEMBL6533254

COC(=O)C(Cc1ccc(OCc2cnn(-c3ccc(CC(C)C)cc3)c2)cc1)/C(C)=N/OCc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
ALKBH1 Q13686 2/20 0.39
PPARG P37231 7/20 0.39
PPARA Q07869 7/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GPR34 Q9UPC5 1/20 0.35

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
SCHEMBL6533259 1.00 PTGS2 (0.41) PTGS2ALKBH1PPARGPPARAMAOB
SCHEMBL6533828 0.94 LTA4H (0.42) PTGS2ALKBH1PPARGPPARAMAOB
SCHEMBL6533823 0.94 LTA4H (0.42) PTGS2ALKBH1PPARGPPARAMAOB
SCHEMBL6532872 0.93 PPARG (0.43) ALKBH1PPARGPPARAMAOBMAOA
SCHEMBL6532877 0.93 PPARG (0.43) ALKBH1PPARGPPARAMAOBMAOA
SCHEMBL6532682 0.93 LTA4H (0.43) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL6532687 0.93 LTA4H (0.43) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL6533022 0.93 PPARG (0.46) PTGS2ALKBH1PPARGPPARAMAOB
SCHEMBL6533027 0.93 PPARG (0.46) PTGS2ALKBH1PPARGPPARAMAOB
SCHEMBL6532384 0.92 PPARG (0.43) PTGS2ALKBH1PPARGPPARAMAOB

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