SCHEMBL5032738

SCHEMBL5032738

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.40
PPARD Q03181 10/20 0.40
PPARG P37231 8/20 0.40
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37

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 0.94 HTT (0.43) PPARAPPARDPPARGMAPTTHRB
SCHEMBL5032820 0.91 PPARA (0.40) PPARAPPARDPPARGHPGDALDH1A1
SCHEMBL5031908 0.89 PPARA (0.41) PPARAPPARDPPARGMAPTHPGD
SCHEMBL5031737 0.89 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL5032979 0.88 PDE4A (0.42) PPARAPPARDPPARGMAPTTHRB
SCHEMBL5029970 0.86 PPARA (0.44) PPARAPPARDPPARGMAPTHPGD
SCHEMBL5029832 0.86 ALDH1A1 (0.39) PPARAPPARDPPARGMAPTHPGD
SCHEMBL5032817 0.84 PPARD (0.47) PPARAPPARDPPARGMAPTHPGD
SCHEMBL5029881 0.82 PPARA (0.40) PPARAPPARDPPARGMAPTTHRB
SCHEMBL5034465 0.82 PPARA (0.48) PPARAPPARDPPARGALDH1A1

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