SCHEMBL6503457

SCHEMBL6503457

CC(C)OC(Cc1ccc(OC2CCCC2)c(CNC(=O)c2ccc(OC3CCCC3)cc2Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
PPARA Q07869 9/20 0.40
PPARD Q03181 6/20 0.40
PPARG P37231 6/20 0.40
S1PR3 Q99500 2/20 0.40
HRH3 Q9Y5N1 3/20 0.40
EPHX2 P34913 3/20 0.38

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
SCHEMBL6496320 0.96 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6503062 0.95 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6506584 0.95 PPARA (0.46) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6505838 0.92 PPARA (0.41) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6502930 0.92 PPARG (0.42) PPARAPPARDPPARG
SCHEMBL6505315 0.92 PPARG (0.46) PPARAPPARDPPARG
SCHEMBL6502859 0.86 S1PR3 (0.36) PPARAPPARDPPARGS1PR3HRH3
SCHEMBL6494217 0.86 S1PR3 (0.36) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6502969 0.85 S1PR3 (0.38) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6505766 0.85 PPARG (0.39) PDE4APDE4BPDE4CPDE4DPPARA

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