SCHEMBL6544080

SCHEMBL6544080

CC(C)(Oc1ccc(CCNCCCc2nc3ccccc3o2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.57
PPARG P37231 13/20 0.57
PPARD Q03181 4/20 0.57
ADRB3 P13945 3/20 0.53
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.44
FABP2 P12104 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6543171 0.97 PPARA (0.56) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL2438034 0.97 PPARA (0.58) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6543344 0.96 PPARA (0.57) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6542915 0.96 PPARA (0.57) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6544141 0.95 PPARA (0.56) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6543036 0.95 PPARA (0.57) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6543066 0.94 PPARA (0.57) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6544132 0.92 PPARA (0.54) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6544109 0.90 PPARG (0.59) PPARAPPARGPPARDADRB3KDM4E
SCHEMBL6544023 0.89 PPARA (0.54) PPARAPPARGPPARDADRB3KDM4E

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