SCHEMBL6543072

SCHEMBL6543072

CC(C)(Oc1ccc(CCN(Cc2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.67
PPARG P37231 17/20 0.67
PPARD Q03181 10/20 0.67
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6544043 0.86 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL6544281 0.86 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL6544277 0.86 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6543108 0.85 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL6543018 0.85 PPARA (0.49) PPARAPPARGPPARDALDH1A1
SCHEMBL6543033 0.84 PPARG (0.84) PPARAPPARGPPARD
SCHEMBL6544292 0.84 PPARA (0.74) PPARAPPARGPPARD
SCHEMBL6544101 0.83 PPARG (0.66) PPARAPPARGPPARD
SCHEMBL6544078 0.82 PPARG (0.88) 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