SCHEMBL5034465

SCHEMBL5034465

COc1ccc(CC2(C(=O)O)C=CCO2)cc1CNC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.48
PPARD Q03181 17/20 0.48
PPARG P37231 15/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5032977 0.85 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL5032738 0.82 PPARA (0.40) PPARAPPARDPPARGALDH1A1
SCHEMBL5031908 0.82 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL5034466 0.81 HTT (0.43) PPARAPPARDPPARGALDH1A1
SCHEMBL5029970 0.81 PPARA (0.44) PPARAPPARDPPARGALDH1A1SMN1; SMN2
SCHEMBL6427520 0.81 PPARA (0.48) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL5032817 0.79 PPARD (0.47) PPARAPPARDPPARGALDH1A1
SCHEMBL5034503 0.79 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL5032820 0.78 PPARA (0.40) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL5031737 0.77 PPARA (0.41) PPARAPPARDPPARG

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