SCHEMBL6508467

SCHEMBL6508467

CCCON=C(C)C(C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.68
PPARG P37231 16/20 0.68
PPARD Q03181 8/20 0.64

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
SCHEMBL6511848 0.94 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL6507805 0.91 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL6533320 0.90 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL6533315 0.90 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL7903440 0.87 PPARA (0.78) PPARAPPARGPPARD
SCHEMBL6533322 0.85 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL7905565 0.84 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL7904686 0.83 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL6383130 0.82 PPARA (0.78) PPARAPPARGPPARD
SCHEMBL6506491 0.81 PPARG (1.00) PPARAPPARG

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