SCHEMBL6542995

SCHEMBL6542995

CC(CCCNCCc1cccc(OC(C)(C)C(=O)O)c1)Cc1nc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.53
PPARA Q07869 12/20 0.53
PPARD Q03181 8/20 0.53
ADRB3 P13945 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL6543548 0.97 PPARG (0.55) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6543100 0.95 PPARG (0.53) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6544255 0.93 PPARG (0.55) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL6544102 0.91 PPARA (0.44) PPARGPPARAPPARDMAPT
SCHEMBL6544109 0.89 PPARG (0.59) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6543898 0.88 PPARG (0.58) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6543077 0.88 PPARG (0.60) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6542989 0.87 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6543114 0.87 PPARG (0.57) PPARGPPARAPPARDADRB3KDM4E
SCHEMBL6544098 0.87 PPARG (0.61) PPARGPPARAPPARDMAPTCYP4F2

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