SCHEMBL6505358

SCHEMBL6505358

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.61
PPARD Q03181 18/20 0.61
PPARG P37231 17/20 0.59
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL6503394 0.89 PPARA (0.60) PPARAPPARDPPARG
SCHEMBL6496322 0.89 PPARA (0.72) PPARAPPARDPPARGSMN1; SMN2
SCHEMBL6505564 0.88 PPARA (0.66) PPARAPPARDPPARG
SCHEMBL6502352 0.88 PPARA (0.79) PPARAPPARDPPARG
SCHEMBL6495734 0.87 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL6504171 0.87 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL6502631 0.84 PPARA (0.75) PPARAPPARDPPARG
SCHEMBL6498599 0.84 PPARA (0.54) PPARAPPARDPPARG
SCHEMBL6506017 0.83 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6502399 0.83 PPARG (0.64) 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