SCHEMBL6534121

SCHEMBL6534121

CCc1ccc(-n2cc(COc3ccc(CC(C(=O)O)C(C)=NOCc4ccc(F)cc4)cc3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.51
PPARA Q07869 17/20 0.51
ALKBH1 Q13686 1/20 0.43
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
GPR34 Q9UPC5 1/20 0.40

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
SCHEMBL6534115 1.00 PPARG (0.51) PPARGPPARAALKBH1MMEACE
SCHEMBL6532611 0.93 PPARG (0.51) PPARGPPARAALKBH1MMEACE
SCHEMBL6532813 0.93 PPARG (0.53) PPARGPPARAALKBH1MMEACE
SCHEMBL6532807 0.93 PPARG (0.53) PPARGPPARAALKBH1MMEACE
SCHEMBL6532606 0.93 PPARG (0.51) PPARGPPARAALKBH1MMEACE
SCHEMBL6532442 0.93 PPARG (0.56) PPARGPPARAALKBH1GPR34
SCHEMBL6532450 0.93 PPARG (0.56) PPARGPPARAALKBH1GPR34
SCHEMBL6534150 0.89 PPARG (0.47) PPARGPPARA
SCHEMBL6534152 0.89 PPARG (0.47) PPARGPPARA
SCHEMBL6532104 0.87 LTA4H (0.43) PPARGPPARAMMEACECPA1

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