SCHEMBL6957828

SCHEMBL6957828

CC(C)(C)OC(=O)ON1CCC(c2ccc(OCCCOc3ccccc3Cl)cc2)C(O)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
PPARA Q07869 3/20 0.43
PPARD Q03181 1/20 0.43
PDE4B Q07343 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SSTR4 P31391 5/20 0.38
SSTR1 P30872 4/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CISD1 Q9NZ45 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6953658 0.90 PDE4B (0.47) PPARGPPARAPDE4BMAPTL3MBTL1
SCHEMBL6954512 0.90 PDE4B (0.43) PPARAPDE4BMEN1KMT2ALMNA
SCHEMBL6951315 0.88 PDE4B (0.41) PPARAPDE4BMEN1KMT2ALMNA
SCHEMBL7074937 0.87 MEN1 (0.41) PDE4BMEN1KMT2ALMNAKDM4E
SCHEMBL3070523 0.86 PDE4B (0.47) PPARGPPARAPPARDPDE4BMAPT
SCHEMBL6955072 0.85 KDM4E (0.42) PDE4BL3MBTL1SMN1; SMN2LMNAKDM4E
SCHEMBL4602561 0.85 REN (0.44) PDE4B
SCHEMBL6953620 0.85 REN (0.44) PDE4B
SCHEMBL6959991 0.85 S1PR1 (0.46) PPARGLMNAKDM4EALDH1A1
SCHEMBL6957302 0.84 S1PR1 (0.43) MEN1KMT2ALMNAKDM4EALDH1A1

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