SCHEMBL2582035

SCHEMBL2582035

CC[C@@H](N)CO.COc1ccc(Cl)cc1C[C@@H](CNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.42
PPARD Q03181 13/20 0.42
PPARG P37231 11/20 0.42
SUV39H2 Q9H5I1 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL2582904 1.00 PPARA (0.42) PPARAPPARDPPARGSUV39H2LMNA
SCHEMBL1186192 0.91 PPARA (0.44) PPARAPPARDPPARGLMNA
SCHEMBL2577180 0.91 PPARA (0.44) PPARAPPARDPPARGLMNA
SCHEMBL1185682 0.91 PPARA (0.44) PPARAPPARDPPARGLMNA
SCHEMBL28789660 0.83 IDO1 (0.41) PPARAPPARDPPARGSUV39H2LMNA
SCHEMBL27821501 0.83 IDO1 (0.41) PPARAPPARDPPARGSUV39H2LMNA
SCHEMBL1185862 0.82 IDO1 (0.45) PPARAPPARDPPARGLMNAALDH1A1
SCHEMBL2583923 0.82 IDO1 (0.45) PPARAPPARDPPARGLMNAALDH1A1
SCHEMBL12980519 0.81 IDO1 (0.40) PPARAPPARDPPARGLMNAALDH1A1
SCHEMBL2799300 0.72 GAA (0.50) PPARAPPARGLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049006-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-01 US disclosed