SCHEMBL7082883

SCHEMBL7082883

COc1cc(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(OCC#CCOc3ccccc3)cc2)c(OC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.46
SSTR5 P35346 3/20 0.37
PDE4B Q07343 1/20 0.35
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM2B Q8NHM5 1/20 0.30
ADAM17 P78536 1/20 0.30
TACR1 P25103 2/20 0.30
YAP1 P46937 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
SCHEMBL7076766 0.93 REN (0.54) RENSSTR5PDE4B
SCHEMBL7079908 0.93 REN (0.52) RENSSTR5PDE4B
SCHEMBL7079907 0.89 REN (0.43) RENSSTR5PDE4BTACR1
SCHEMBL7078446 0.89 REN (0.51) RENSSTR5PDE4B
SCHEMBL7084760 0.89 REN (0.54) RENSSTR5PDE4BALDH1A1
SCHEMBL7079331 0.89 REN (0.46) RENSSTR5PDE4BADAM17
SCHEMBL7084145 0.88 REN (0.49) RENSSTR5PDE4B
SCHEMBL7079511 0.88 REN (0.54) RENPDE4B
SCHEMBL7077001 0.88 REN (0.45) RENADAM17
SCHEMBL7074869 0.88 REN (0.44) RENSSTR5PDE4BALDH1A1

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