SCHEMBL6505334

SCHEMBL6505334

CCOC(=O)C(CC)Cc1ccc(OC)c(NC(=O)Cc2ccc(C(F)(F)F)c(F)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.62
PPARG P37231 9/20 0.54
PPARD Q03181 8/20 0.54
EPHX2 P34913 5/20 0.46
P2RX7 Q99572 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6495887 0.91 PPARA (0.76) PPARAPPARGPPARD
SCHEMBL3942737 0.77 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL3942730 0.77 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL3949194 0.76 PPARA (0.69) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL3947438 0.75 PPARA (0.84) PPARAPPARGPPARDEPHX2
SCHEMBL6495710 0.73 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL3947259 0.72 PPARA (0.72) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL3944223 0.72 PPARA (0.85) PPARAPPARGPPARD
SCHEMBL6495519 0.71 PPARG (0.51) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL6504914 0.71 PPARA (0.52) PPARAPPARGPPARDEPHX2SMN1; SMN2

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