SCHEMBL7076705

SCHEMBL7076705

COc1cc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(OCC/C=C/c3ccccc3)cc2)c(OC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.46
SSTR5 P35346 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MAPK1 P28482 1/20 0.32
ACKR3 P25106 1/20 0.32
MCHR1 Q99705 1/20 0.31
S1PR1 P21453 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
SCHEMBL7074869 0.93 REN (0.44) RENSSTR5ALDH1A1SMN1; SMN2PDE4B
SCHEMBL7079908 0.90 REN (0.52) RENSSTR5PDE4B
SCHEMBL7076766 0.90 REN (0.54) RENSSTR5PDE4B
SCHEMBL7084760 0.88 REN (0.54) RENSSTR5ALDH1A1PDE4B
SCHEMBL7084145 0.87 REN (0.49) RENSSTR5PDE4BS1PR1
SCHEMBL7079511 0.87 REN (0.54) RENPDE4B
SCHEMBL6043888 0.87 REN (0.49) RENSSTR5ALDH1A1SMN1; SMN2HRH3
SCHEMBL6043894 0.87 REN (0.49) RENSSTR5ALDH1A1SMN1; SMN2HRH3
SCHEMBL7074060 0.87 REN (0.48) RENSSTR5PDE4B
SCHEMBL7078446 0.86 REN (0.51) RENSSTR5PDE4BHRH3PPARD

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed