SCHEMBL6495801

SCHEMBL6495801

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1cc(-c2ccccn2)n(C)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.47
PPARD Q03181 12/20 0.47
PPARG P37231 13/20 0.46
MAPT P10636 1/20 0.40

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
SCHEMBL6496022 0.87 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL6502399 0.83 PPARG (0.64) PPARAPPARDPPARG
SCHEMBL6495611 0.82 PPARG (0.49) PPARAPPARDPPARGMAPT
SCHEMBL6496322 0.75 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL6495617 0.75 MME (0.50) PPARAPPARDPPARG
SCHEMBL7680533 0.74 PPARA (0.47) PPARAPPARDPPARGMAPT
SCHEMBL6495734 0.74 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL6503265 0.73 HPGD (0.56) PPARAPPARDMAPT
SCHEMBL6505358 0.72 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL4335123 0.72 PPARA (0.51) PPARAPPARDPPARGMAPT

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