SCHEMBL6543121

SCHEMBL6543121

CC(C)(Oc1cccc(CNCCC(c2ccccc2)c2nc3ccccc3o2)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.51
PPARA Q07869 9/20 0.51
PPARD Q03181 4/20 0.51
BCHE P06276 1/20 0.40
BACE1 P56817 1/20 0.40
ADRB3 P13945 3/20 0.39
P2RY14 Q15391 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6543048 0.94 PPARG (0.48) PPARGPPARAPPARDP2RY14ALDH1A1
SCHEMBL6542914 0.94 PPARG (0.47) PPARGPPARAPPARDADRB3
SCHEMBL6543944 0.92 PPARG (0.54) PPARGPPARAPPARDADRB3P2RY14
SCHEMBL6544050 0.91 PPARG (0.56) PPARGPPARAPPARDADRB3
SCHEMBL6543126 0.90 PPARA (0.50) PPARGPPARAPPARDADRB3
SCHEMBL1009457 0.89 PPARA (0.51) PPARGPPARAPPARDP2RY14ALDH1A1
SCHEMBL2440050 0.86 PPARD (0.51) PPARGPPARAPPARDBCHEADRB3
SCHEMBL6544153 0.85 PPARA (0.49) PPARGPPARAPPARDBCHEALDH1A1
SCHEMBL1012221 0.84 PPARA (0.47) PPARGPPARAPPARDP2RY14
SCHEMBL6544120 0.84 PPARA (0.47) PPARGPPARAPPARDP2RY14ALDH1A1

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