SCHEMBL6543548

SCHEMBL6543548

CC(CCCNCCCc1cccc(OC(C)(C)C(=O)O)c1)Cc1nc2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.55
PPARA Q07869 12/20 0.55
PPARD Q03181 8/20 0.55
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 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
SCHEMBL6544255 0.97 PPARG (0.55) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6542995 0.97 PPARG (0.53) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543100 0.92 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL6544252 0.90 PPARG (0.62) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6544098 0.89 PPARG (0.61) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543404 0.88 PPARG (0.60) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6544102 0.88 PPARA (0.44) PPARGPPARAPPARD
SCHEMBL6544142 0.87 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6542989 0.87 PPARG (0.51) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL6543021 0.87 PPARG (0.59) PPARGPPARAPPARDCYP4F2CYP4A11

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