SCHEMBL7078341

SCHEMBL7078341

COc1cc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(OCCCSCc3ccccc3)cc2)c(OC)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.47
PDE4B Q07343 1/20 0.35
SSTR5 P35346 2/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL7074060 0.91 REN (0.48) RENPDE4BSSTR5
SCHEMBL7079908 0.91 REN (0.52) RENPDE4BSSTR5
SCHEMBL7076766 0.91 REN (0.54) RENPDE4BSSTR5
SCHEMBL7084145 0.91 REN (0.49) RENPDE4BSSTR5
SCHEMBL7079511 0.91 REN (0.54) RENPDE4B
SCHEMBL7082315 0.90 REN (0.37) RENPDE4B
SCHEMBL7076678 0.89 REN (0.49) RENPDE4BSSTR5
SCHEMBL7084760 0.89 REN (0.54) RENPDE4BSSTR5ALDH1A1
SCHEMBL7080191 0.88 REN (0.48) RENPDE4BSSTR5
SCHEMBL7078446 0.87 REN (0.51) RENPDE4BSSTR5

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