SCHEMBL6543100

SCHEMBL6543100

CC(CCNCCc1cccc(OC(C)(C)C(=O)O)c1)Cc1nc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.53
PPARA Q07869 10/20 0.53
PPARD Q03181 6/20 0.53
ADRB3 P13945 3/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RY14 Q15391 1/20 0.38
TP53 P04637 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
SCHEMBL6544255 0.95 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL6542995 0.95 PPARG (0.53) PPARGPPARAPPARDADRB3MAPT
SCHEMBL6542989 0.92 PPARG (0.51) PPARGPPARAPPARDP2RY14TP53
SCHEMBL6543548 0.92 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL6544269 0.91 ADRB3 (0.51) PPARGPPARAPPARDADRB3MAPT
SCHEMBL6543077 0.89 PPARG (0.60) PPARGPPARAPPARDADRB3MAPT
SCHEMBL6544109 0.87 PPARG (0.59) PPARGPPARAPPARDADRB3MAPT
SCHEMBL6544102 0.86 PPARA (0.44) PPARGPPARAPPARDMAPTP2RY14
SCHEMBL6543898 0.86 PPARG (0.58) PPARGPPARAPPARDADRB3MAPT
SCHEMBL6544142 0.85 PPARG (0.51) PPARGPPARAPPARDADRB3MAPT

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