SCHEMBL14218865

SCHEMBL14218865

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O[C@H](C)OC(=O)C(C)C)C[C@@H](O)[C@@H]3c3ccc(OCCCOc4ccccc4Cl)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.34
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL4583111 1.00 REN (0.34) RENPPARGPPARDPPARAHRH3
SCHEMBL4583049 0.91 REN (0.43) RENCYP3A4
SCHEMBL4583012 0.90 REN (0.37) RENPPARGPPARDPPARA
SCHEMBL2339518 0.90 REN (0.37) RENPPARGPPARDPPARA
SCHEMBL4528639 0.89 REN (0.36) RENPPARGPPARDPPARAHRH3
SCHEMBL4597820 0.89 REN (0.34) RENHRH3CYP3A4
SCHEMBL1040011 0.89 PDE4B (0.37) RENPPARGPPARDPPARA
SCHEMBL4582354 0.89 REN (0.34) RENPPARGPPARDPPARAHRH3
SCHEMBL4582351 0.89 REN (0.34) RENPPARGPPARDPPARAHRH3
SCHEMBL4583366 0.89 REN (0.34) RENPPARGPPARDPPARAHRH3

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
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed