SCHEMBL6955072

SCHEMBL6955072

CC(C)(C)OC(=O)ON1CCC(c2ccc(OCCCOCc3ccccc3)cc2)C(O)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
REN P00797 3/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
YAP1 P46937 1/20 0.38
PDE4B Q07343 1/20 0.38
NPY1R P25929 1/20 0.38

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
SCHEMBL6959509 0.93 NPC1 (0.44) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL6954512 0.93 PDE4B (0.43) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL6959991 0.91 S1PR1 (0.46) KDM4EALDH1A1LMNAKDM1AMAOA
SCHEMBL6951315 0.91 PDE4B (0.41) KDM4EALDH1A1LMNAHTTPDE4B
SCHEMBL6956250 0.90 REN (0.47) KDM4EALDH1A1LMNAREN
SCHEMBL6957302 0.90 S1PR1 (0.43) KDM4EALDH1A1LMNAKDM1AMAOA
SCHEMBL7074937 0.90 MEN1 (0.41) KDM4EALDH1A1LMNANPC1KDM1A
SCHEMBL6951300 0.90 GPR119 (0.40) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL7452845 0.89 MEN1 (0.35) PDE4B
SCHEMBL7076319 0.89 KDM1A (0.40) KDM4EALDH1A1LMNARENSMN1; SMN2

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