SCHEMBL6544050

SCHEMBL6544050

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.56
PPARA Q07869 12/20 0.56
PPARD Q03181 8/20 0.56
KCNH2 Q12809 1/20 0.40
ADRB3 P13945 3/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 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
SCHEMBL6543944 0.95 PPARG (0.54) PPARGPPARAPPARDKCNH2ADRB3
SCHEMBL6543121 0.91 PPARG (0.51) PPARGPPARAPPARDADRB3
SCHEMBL6544135 0.85 ADRB3 (0.56) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6543048 0.85 PPARG (0.48) PPARGPPARAPPARDKDM4EMAPT
SCHEMBL6544252 0.85 PPARG (0.62) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL1010612 0.85 PPARA (0.56) PPARGPPARAPPARDADRB3CYP4F2
SCHEMBL6542914 0.85 PPARG (0.47) PPARGPPARAPPARDADRB3MAPT
SCHEMBL6544098 0.84 PPARG (0.61) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6544255 0.84 PPARG (0.55) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543074 0.84 PPARG (0.39) PPARGPPARAPPARDKCNH2ADRB3

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