SCHEMBL4583012

SCHEMBL4583012

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H](O)[C@@H]3c3ccc(OCCCOc4ccccc4Cl)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.37
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
MET P08581 1/20 0.32
GRM5 P41594 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2339518 1.00 REN (0.37) RENPPARGPPARDPPARACYSLTR2
SCHEMBL3905577 0.94 REN (0.40) RENCYSLTR2CYSLTR1GRM5
SCHEMBL4528639 0.93 REN (0.36) RENPPARGPPARDPPARAGRM5
SCHEMBL1036379 0.93 REN (0.39) RENCYSLTR2CYSLTR1GRM5NPC1
SCHEMBL1040011 0.92 PDE4B (0.37) RENPPARGPPARDPPARA
SCHEMBL2343576 0.91 REN (0.37) RENCYSLTR2CYSLTR1
SCHEMBL2337934 0.91 REN (0.36) RENCYSLTR2CYSLTR1MET
SCHEMBL2344002 0.91 REN (0.34) RENPPARGPPARDPPARACYSLTR2
SCHEMBL4583111 0.90 REN (0.34) RENPPARGPPARDPPARA
SCHEMBL14218865 0.90 REN (0.34) RENPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed