SCHEMBL6957567

SCHEMBL6957567

CC(C)(C)OC(=O)ON1C[C@@H](O)[C@@H](c2ccc(OCCCOCc3ccccc3)cc2)[C@@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PDE4B Q07343 1/20 0.38
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL6955012 0.93 REN (0.41) RENL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL6623905 0.92 REN (0.46) RENL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL6959373 0.91 REN (0.51) RENL3MBTL1
SCHEMBL6955160 0.90 REN (0.50) RENL3MBTL1
SCHEMBL7082878 0.90 REN (0.50) RENL3MBTL1
SCHEMBL6960190 0.89 REN (0.49) RENL3MBTL1
SCHEMBL6953593 0.89 REN (0.39) RENL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL6956522 0.89 REN (0.49) RENL3MBTL1
SCHEMBL6952635 0.89 REN (0.40) RENL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL6955072 0.88 KDM4E (0.42) RENL3MBTL1KDM4EALDH1A1LMNA

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 3 patents. 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
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed