SCHEMBL6503992

SCHEMBL6503992

COc1ccc(CC(OC(C)C)C(=O)O)cc1CNC(=O)C(C)=Cc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.46
PPARD Q03181 13/20 0.46
PPARG P37231 10/20 0.44
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 2/20 0.40
OPRK1 P41145 1/20 0.39

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
SCHEMBL6503985 1.00 PPARA (0.46) PPARAPPARDPPARGMEN1LMNA
SCHEMBL6495628 0.90 PPARA (0.45) PPARAPPARDPPARGPOLBKMT2A
SCHEMBL6495621 0.90 PPARA (0.45) PPARAPPARDPPARGPOLBKMT2A
SCHEMBL6497593 0.89 PPARA (0.48) PPARAPPARDPPARGPOLBMMP1
SCHEMBL6497586 0.89 PPARA (0.48) PPARAPPARDPPARGPOLBMMP1
SCHEMBL6506180 0.89 MMP1 (0.44) PPARAPPARDPPARGMMP1
SCHEMBL6502803 0.89 PPARA (0.46) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL6506175 0.89 MMP1 (0.44) PPARAPPARDPPARGMMP1
SCHEMBL6502801 0.89 PPARA (0.46) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL6496109 0.87 PPARA (0.42) PPARAPPARDPPARGLMNAKMT2A

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