SCHEMBL6960145

SCHEMBL6960145

CC(C)(C)OC(=O)ON1CCC(c2ccc(OCCCSCc3ccccc3)cc2)C(O)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
S1PR1 P21453 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.35
LTA4H P09960 2/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
KDM1A O60341 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6949756 0.89 MEN1 (0.37) KDM4EALDH1A1LMNAS1PR1MEN1
SCHEMBL6959991 0.89 S1PR1 (0.46) KDM4EALDH1A1LMNAS1PR1KDM1A
SCHEMBL6959905 0.89 S1PR1 (0.39) KDM4EALDH1A1LMNAS1PR1MEN1
SCHEMBL6954512 0.88 PDE4B (0.43) KDM4EALDH1A1LMNAS1PR1MEN1
SCHEMBL6951315 0.88 PDE4B (0.41) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL6957302 0.88 S1PR1 (0.43) KDM4EALDH1A1LMNAS1PR1MEN1
SCHEMBL7074937 0.87 MEN1 (0.41) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL6955072 0.87 KDM4E (0.42) KDM4EALDH1A1LMNAPDE4BKDM1A
SCHEMBL6959509 0.86 NPC1 (0.44) KDM4EALDH1A1LMNALTA4HKDM1A
SCHEMBL7076916 0.85 REN (0.47)

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