SCHEMBL6542989

SCHEMBL6542989

CC(CCNCc1cccc(OC(C)(C)C(=O)O)c1)Cc1nc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.51
PPARA Q07869 11/20 0.51
PPARD Q03181 6/20 0.51
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
P2RY14 Q15391 1/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6543100 0.92 PPARG (0.53) PPARGPPARAPPARDP2RY14TP53
SCHEMBL6544255 0.91 PPARG (0.55) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6543540 0.90 PPARA (0.49) PPARGPPARAPPARDTP53
SCHEMBL6542995 0.87 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL6543548 0.87 PPARG (0.55) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6544067 0.87 PPARG (0.56) PPARGPPARAPPARDP2RY14
SCHEMBL6542939 0.86 PPARG (0.56) PPARGPPARAPPARDTP53
SCHEMBL6543988 0.85 PPARA (0.48) PPARGPPARAPPARDTP53
SCHEMBL6542943 0.85 PPARA (0.56) PPARGPPARAPPARDTP53
SCHEMBL6544090 0.84 PPARG (0.55) PPARGPPARAPPARDTP53

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