SCHEMBL6543607

SCHEMBL6543607

CC(C)(Oc1cccc(CCNC2(c3nc4ccccc4o3)CCCCC2)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.54
PPARA Q07869 13/20 0.54
PPARD Q03181 9/20 0.53
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
P2RY14 Q15391 2/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6544107 0.91 PPARG (0.53) PPARGPPARAPPARDP2RY14CYP4F2
SCHEMBL6543207 0.91 PPARA (0.44) PPARGPPARAPPARDMAPTP2RY14
SCHEMBL6544235 0.90 PPARA (0.51) PPARGPPARAPPARDKDM4EMAPT
SCHEMBL6543451 0.85 PPARG (0.52) PPARGPPARAPPARDKDM4EMAPT
SCHEMBL6543077 0.79 PPARG (0.60) PPARGPPARAPPARDKDM4EMAPT
SCHEMBL6544109 0.77 PPARG (0.59) PPARGPPARAPPARDKDM4EMAPT
SCHEMBL2436469 0.77 PPARG (0.63) PPARGPPARAPPARDP2RY14CYP4F2
SCHEMBL6543898 0.76 PPARG (0.58) PPARGPPARAPPARDKDM4EMAPT
SCHEMBL6544252 0.76 PPARG (0.62) PPARGPPARAPPARDMAPTCYP4F2
SCHEMBL6543114 0.76 PPARG (0.57) PPARGPPARAPPARDKDM4EMAPT

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