SCHEMBL6531844

SCHEMBL6531844

CO/N=C(\C)C(Cc1ccc(OCc2nc(Cc3ccccc3)no2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.53
PPARA Q07869 14/20 0.53
MAPT P10636 2/20 0.51
TSHR P16473 1/20 0.45
FFAR1 O14842 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL6531841 1.00 PPARG (0.53) PPARGPPARAMAPTTSHRFFAR1
SCHEMBL6509052 0.91 PPARG (0.59) PPARGPPARAMAPTTSHR
SCHEMBL6527925 0.91 PPARG (0.59) PPARGPPARAMAPTTSHR
SCHEMBL6527206 0.76 FFAR1 (0.61) PPARGPPARAMAPTFFAR1
SCHEMBL6527202 0.76 FFAR1 (0.61) PPARGPPARAMAPTFFAR1
SCHEMBL6528289 0.72 FFAR1 (0.63) PPARGPPARAMAPTFFAR1
SCHEMBL6528317 0.71 FFAR1 (0.57) PPARGPPARAMAPTFFAR1PPARD
SCHEMBL6529240 0.71 PPARG (0.60) PPARGPPARAFFAR1
SCHEMBL6505520 0.69 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL6504738 0.69 FFAR1 (0.59) PPARGPPARAFFAR1

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