SCHEMBL6533728

SCHEMBL6533728

CC(=NOCc1ccccc1)C(Cc1ccc(OCc2cnn(-c3ccc(Cl)cc3)c2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.47
PPARA Q07869 13/20 0.47
GPR34 Q9UPC5 1/20 0.44
ALKBH1 Q13686 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
MAOB P27338 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
SCHEMBL6533724 1.00 PPARG (0.47) PPARGPPARAGPR34ALKBH1MEN1
SCHEMBL6533022 0.94 PPARG (0.46) PPARGPPARAGPR34ALKBH1MEN1
SCHEMBL6533027 0.94 PPARG (0.46) PPARGPPARAGPR34ALKBH1MEN1
SCHEMBL6533828 0.93 LTA4H (0.42) PPARGPPARAGPR34ALKBH1MEN1
SCHEMBL6533823 0.93 LTA4H (0.42) PPARGPPARAGPR34ALKBH1MEN1
SCHEMBL6533745 0.92 PPARG (0.48) PPARGPPARA
SCHEMBL6532720 0.92 PPARG (0.46) PPARGPPARASMN1; SMN2MAOB
SCHEMBL6533743 0.92 PPARG (0.48) PPARGPPARA
SCHEMBL6532713 0.92 PPARG (0.46) PPARGPPARASMN1; SMN2MAOB
SCHEMBL6534150 0.89 PPARG (0.47) 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