SCHEMBL5037150

SCHEMBL5037150

COc1ccc(CC2(C(=O)O)CCCO2)cc1CNC(=O)c1ccc(C2CCCCC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.48
PPARG P37231 10/20 0.48
PPARD Q03181 6/20 0.48
PDE5A O76074 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL6426198 0.88 PPARA (0.62) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5034531 0.88 PPARA (0.41) PPARAPPARGPPARDPDE5AMEN1
SCHEMBL5031836 0.88 PDE4A (0.43) PPARAPPARGPPARDPDE5ALMNA
SCHEMBL6888818 0.87 HTT (0.43) PPARAPPARGPPARDPDE5AMEN1
SCHEMBL6426963 0.85 PPARA (0.44) PPARAPPARGPPARDPDE5ALMNA
SCHEMBL5029881 0.84 PPARA (0.40) PPARAPPARGPPARDPDE5ALMNA
SCHEMBL5029907 0.84 PPARA (0.40) PPARAPPARGPPARDPDE5ALMNA
SCHEMBL5031792 0.83 PPARA (0.39) PPARAPPARGPPARDPDE5A
SCHEMBL5032845 0.82 PPARA (0.46) PPARAPPARGPPARDLMNA
SCHEMBL5030048 0.80 PDE4A (0.37) PPARAPPARGPPARDHPGD

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