SCHEMBL5032977

SCHEMBL5032977

COc1ccc(CC2(C(=O)O)C=CCO2)cc1CNC(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.61
PPARD Q03181 12/20 0.61
PPARG P37231 10/20 0.61
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MCHR1 Q99705 4/20 0.40

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
SCHEMBL5032986 0.85 PPARA (0.68) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL5034465 0.85 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL6426198 0.83 PPARA (0.62) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL5032979 0.79 PDE4A (0.42) PPARAPPARDPPARG
SCHEMBL5031908 0.77 PPARA (0.41) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL5032817 0.77 PPARD (0.47) PPARAPPARDPPARG
SCHEMBL5034466 0.77 HTT (0.43) PPARAPPARDPPARGKMT2A
SCHEMBL5034503 0.76 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL5029970 0.75 PPARA (0.44) PPARAPPARDPPARGKMT2A
SCHEMBL6502631 0.75 PPARA (0.75) 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