SCHEMBL6503306

SCHEMBL6503306

COc1ccc(C=O)cc1CC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.61
ACHE P22303 1/20 0.52
KCNJ5 P48544 1/20 0.49
KCNJ3 P48549 1/20 0.49
CSNK1D P48730 2/20 0.48
KMT2A Q03164 2/20 0.47
ANO1 Q5XXA6 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RORC P51449 1/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 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
SCHEMBL7943968 0.84 PPARA (0.63) PPARAKCNJ5KCNJ3CSNK1DKMT2A
SCHEMBL6494482 0.82 PPARA (0.54) PPARAACHEKCNJ5KCNJ3CSNK1D
SCHEMBL6494480 0.82 PPARA (0.54) PPARAACHEKCNJ5KCNJ3CSNK1D
SCHEMBL6236807 0.81 ESRRA (0.60) PPARAHDAC4HDAC8
SCHEMBL6236808 0.81 ESRRA (0.60) PPARAHDAC4HDAC8
SCHEMBL6496067 0.81 KCNJ5 (0.66) PPARAKCNJ5KCNJ3CSNK1DKMT2A
SCHEMBL6504855 0.81 PPARD (0.65) PPARAHDAC3HDAC1HDAC2HDAC6
SCHEMBL3952548 0.76 PPARA (1.00) PPARAPPARD
SCHEMBL3947438 0.75 PPARA (0.84) PPARAPPARD
SCHEMBL1581301 0.75 EPHX2 (0.61) PPARAKMT2ASMN1; SMN2LMNAHTT

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed