SCHEMBL6544153

SCHEMBL6544153

O=C(O)COc1cccc(CNCCC(c2ccccc2)c2nc3ccccc3o2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.42
FFAR1 O14842 1/20 0.41
PTPN1 P18031 1/20 0.41
KEAP1 Q14145 1/20 0.41
PTGIR P43119 1/20 0.39
ABCB1 P08183 2/20 0.39
BCHE P06276 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 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
SCHEMBL6543517 0.94 PPARA (0.46) PPARACYSLTR2CYSLTR1PTGDR2FFAR1
SCHEMBL1010192 0.89 PPARA (0.49) PPARACYSLTR2CYSLTR1FFAR1PTPN1
SCHEMBL2440050 0.86 PPARD (0.51) PPARABCHEALDH1A1L3MBTL1PPARG
SCHEMBL2441911 0.85 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL6543121 0.85 PPARG (0.51) PPARABCHEALDH1A1L3MBTL1PPARG
SCHEMBL1011009 0.82 PPARA (0.43) PPARAPTGIRPPARGPPARD
SCHEMBL2439070 0.81 PPARG (0.47) PPARAPTPN1ALDH1A1L3MBTL1LMNA
SCHEMBL6543048 0.80 PPARG (0.48) PPARAPTPN1ALDH1A1L3MBTL1LMNA
SCHEMBL2437822 0.80 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL6542914 0.79 PPARG (0.47) 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