SCHEMBL6532459

SCHEMBL6532459

CC(=NOCc1ccccc1)C(Cc1ccc(OCc2cnn(-c3ccccc3)c2C)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.49
PPARA Q07869 18/20 0.49
ALOX5 P09917 1/20 0.41

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
SCHEMBL6533954 1.00 PPARG (0.49) PPARGPPARAALOX5
SCHEMBL6532478 0.93 PPARG (0.43) PPARGPPARAALOX5
SCHEMBL6532483 0.93 PPARG (0.43) PPARGPPARAALOX5
SCHEMBL6532843 0.92 PPARG (0.55) PPARGPPARA
SCHEMBL6533972 0.84 PPARG (0.44) PPARGPPARA
SCHEMBL6533745 0.79 PPARG (0.48) PPARGPPARA
SCHEMBL6533743 0.79 PPARG (0.48) PPARGPPARA
SCHEMBL6532538 0.78 PPARG (0.57) PPARGPPARA
SCHEMBL6532539 0.78 PPARG (0.57) PPARGPPARA
SCHEMBL6533696 0.77 PPARG (0.47) PPARGPPARA

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