SCHEMBL5031737

SCHEMBL5031737

CCCOc1ccc(C(=O)NCc2cc(CC3(C(=O)O)C=CCO3)ccc2OC)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.41
PPARG P37231 12/20 0.41
PPARD Q03181 12/20 0.41
HCRTR2 O43614 1/20 0.36

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
SCHEMBL5032820 0.94 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL5034466 0.92 HTT (0.43) PPARAPPARGPPARD
SCHEMBL5032738 0.89 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL5031908 0.88 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL5032979 0.87 PDE4A (0.42) PPARAPPARGPPARD
SCHEMBL5034494 0.86 ALDH1A1 (0.42) PPARAPPARGPPARD
SCHEMBL5029970 0.85 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL5031792 0.83 PPARA (0.39) PPARAPPARGPPARDHCRTR2
SCHEMBL5032817 0.82 PPARD (0.47) PPARAPPARGPPARD
SCHEMBL5030015 0.81 PPARA (0.40) PPARAPPARGPPARDHCRTR2

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