SCHEMBL6533972

SCHEMBL6533972

C/C(=N\OCc1ccccc1)C(Cc1ccc(OC(C)c2cnn(-c3ccccc3)c2C)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.44
PPARA Q07869 16/20 0.44
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 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
SCHEMBL6532459 0.84 PPARG (0.49) PPARGPPARA
SCHEMBL6533954 0.84 PPARG (0.49) PPARGPPARA
SCHEMBL6532843 0.82 PPARG (0.55) PPARGPPARA
SCHEMBL6532483 0.78 PPARG (0.43) PPARGPPARANPC1RAB9APKM
SCHEMBL6532478 0.78 PPARG (0.43) PPARGPPARANPC1RAB9APKM
SCHEMBL6533957 0.73 PPARG (0.45) PPARGPPARA
SCHEMBL6533745 0.72 PPARG (0.48) PPARGPPARA
SCHEMBL6533743 0.72 PPARG (0.48) PPARGPPARA
SCHEMBL6532720 0.72 PPARG (0.46) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL6532713 0.72 PPARG (0.46) PPARGPPARANPC1RAB9ASMN1; SMN2

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