SCHEMBL6496022

SCHEMBL6496022

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1cc(-c2ccccn2)nn1C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.48
PPARD Q03181 12/20 0.48
PPARG P37231 12/20 0.46
PHGDH O43175 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
SCHEMBL6495801 0.87 PPARA (0.47) PPARAPPARDPPARG
SCHEMBL6502399 0.84 PPARG (0.64) PPARAPPARDPPARG
SCHEMBL6502012 0.82 PIN1 (0.48) PPARAPPARDPPARGPHGDH
SCHEMBL6496322 0.76 PPARA (0.72) PPARAPPARDPPARG
SCHEMBL6502018 0.76 PHGDH (0.55) PHGDH
SCHEMBL6495734 0.74 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL6505813 0.74 PPARA (0.43) PPARAPPARDPPARG
SCHEMBL6505358 0.73 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL4335123 0.73 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6503394 0.72 PPARA (0.60) PPARAPPARDPPARG

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