SCHEMBL6529240

SCHEMBL6529240

CCO/N=C(/C)C(Cc1ccc(OCc2nc(-c3cccc(C)c3)no2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.60
PPARA Q07869 8/20 0.60
FFAR1 O14842 9/20 0.54
TP53 P04637 1/20 0.51
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL6530450 0.91 PPARG (0.55) PPARGPPARAFFAR1TP53NPC1
SCHEMBL6529794 0.90 PPARG (0.59) PPARGPPARAFFAR1
SCHEMBL6528289 0.90 FFAR1 (0.63) PPARGPPARAFFAR1NPC1CASP3
SCHEMBL6528953 0.82 FFAR1 (0.51) FFAR1TP53NPC1CASP3RAB9A
SCHEMBL6527206 0.81 FFAR1 (0.61) PPARGPPARAFFAR1NPC1CASP3
SCHEMBL6527202 0.81 FFAR1 (0.61) PPARGPPARAFFAR1NPC1CASP3
SCHEMBL6530453 0.80 FFAR1 (0.62) PPARGPPARAFFAR1TP53NPC1
SCHEMBL6527925 0.80 PPARG (0.59) PPARGPPARA
SCHEMBL6509052 0.80 PPARG (0.59) PPARGPPARA
SCHEMBL6504738 0.80 FFAR1 (0.59) PPARGPPARAFFAR1NPC1CASP3

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