SCHEMBL6544281

SCHEMBL6544281

Cc1c(CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)c2nc3ccccc3o2)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.55
PPARG P37231 16/20 0.55
PPARD Q03181 13/20 0.55

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
SCHEMBL2440051 0.93 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL6544151 0.92 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL6543464 0.89 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL6543484 0.86 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL6543108 0.86 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL6543072 0.86 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL2434140 0.85 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL6542970 0.84 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL6543018 0.82 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL6542911 0.82 PPARA (0.66) PPARAPPARGPPARD

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
EP-1433786-A1 Benzoxazole compound and pharmaceutical composition containing the compound Kowa Company Ltd. (JP) 2004-06-30 EP disclosed
US-6653334-B1 Electively activate peroxisome proliferator activated receptors KOWA CO., LTD. (JP) 2003-11-25 US disclosed