SCHEMBL6544065

SCHEMBL6544065

CC(C)(Oc1ccc(CCNCCC(c2nc3ccccc3o2)C2CCCCC2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.47
PPARG P37231 13/20 0.47
PPARD Q03181 3/20 0.47
ADRB3 P13945 3/20 0.47
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 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
SCHEMBL6542994 0.93 PPARA (0.47) PPARAPPARGPPARDADRB3MAPT
SCHEMBL6544120 0.86 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL6544135 0.84 ADRB3 (0.56) PPARAPPARGPPARDADRB3MAPT
SCHEMBL6543036 0.79 PPARA (0.57) PPARAPPARGPPARDADRB3MAPT
SCHEMBL6544269 0.78 ADRB3 (0.51) PPARAPPARGPPARDADRB3MAPT
SCHEMBL1009876 0.78 ADRB3 (0.56) PPARAPPARGPPARDADRB3MAPT
SCHEMBL6544080 0.77 PPARA (0.57) PPARAPPARGPPARDADRB3MAPT
SCHEMBL6543126 0.76 PPARA (0.50) PPARAPPARGPPARDADRB3MAPT
SCHEMBL6543171 0.76 PPARA (0.56) PPARAPPARGPPARDADRB3MAPT
SCHEMBL1010866 0.75 ADRB3 (0.52) PPARAPPARGPPARDADRB3MAPT

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