SCHEMBL6947656

SCHEMBL6947656

CC(C)(C)OC(=O)COC1CN(OC(=O)OC(C)(C)C)CCC1c1ccc(OCCCOCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6956250 0.93 REN (0.47) RENKDM4EALDH1A1LMNA
SCHEMBL7082327 0.91 REN (0.42) RENKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL7081732 0.90 REN (0.41) RENKDM4EALDH1A1LMNA
SCHEMBL7082632 0.89 REN (0.46) RENKDM4EALDH1A1LMNA
SCHEMBL6953120 0.89 REN (0.46) RENKDM4EALDH1A1LMNA
SCHEMBL6041555 0.88 REN (0.42) RENKDM4EALDH1A1LMNA
SCHEMBL7075548 0.87 REN (0.58) REN
SCHEMBL6960072 0.87 REN (0.41) RENKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL6955072 0.87 KDM4E (0.42) RENKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL6954945 0.87 REN (0.46) RENL3MBTL1

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