SCHEMBL5032979

SCHEMBL5032979

COc1ccc(CC2(C(=O)O)C=CCO2)cc1CNC(=O)c1ccc(OC2CCCC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

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
EPHX2 P34913 4/20 0.39
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL5034466 0.91 HTT (0.43) PPARAPPARGPPARDMAPTTHRB
SCHEMBL5032820 0.88 PPARA (0.40) PPARAPPARGPPARDHPGDALDH1A1
SCHEMBL5032738 0.88 PPARA (0.40) PPARAPPARGPPARDMAPTTHRB
SCHEMBL5031908 0.87 PPARA (0.41) PPARAPPARGPPARDMAPTHPGD
SCHEMBL5031737 0.87 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL5032956 0.86 HRH3 (0.38) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL5029970 0.84 PPARA (0.44) PPARAPPARGPPARDMAPTHPGD
SCHEMBL5031836 0.84 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL5031904 0.82 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DEPHX2
SCHEMBL5032817 0.82 PPARD (0.47) PPARAPPARGPPARDMAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed