SCHEMBL5029970

SCHEMBL5029970

COc1ccc(CC2(C(=O)O)C=CCO2)cc1CNC(=O)c1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.44
PPARD Q03181 5/20 0.44
PPARG P37231 4/20 0.44
HDAC8 Q9BY41 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 3/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
CHEK1 O14757 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL5031908 0.90 PPARA (0.41) PPARAPPARDPPARGLMNAHPGD
SCHEMBL5034466 0.89 HTT (0.43) PPARAPPARDPPARGLMNAHPGD
SCHEMBL5032820 0.86 PPARA (0.40) PPARAPPARDPPARGHPGDHTT
SCHEMBL5032738 0.86 PPARA (0.40) PPARAPPARDPPARGLMNAHPGD
SCHEMBL5031737 0.85 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL5030063 0.85 CHRM3 (0.42) PPARGHDAC8HPGDALDH1A1
SCHEMBL5032979 0.84 PDE4A (0.42) PPARAPPARDPPARGLMNAHPGD
SCHEMBL6426963 0.82 PPARA (0.44) PPARAPPARDPPARGHDAC8LMNA
SCHEMBL5032817 0.81 PPARD (0.47) PPARAPPARDPPARGHPGDHTT
SCHEMBL5034465 0.81 PPARA (0.48) PPARAPPARDPPARGSMN1; SMN2ALDH1A1

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