SCHEMBL7074937

SCHEMBL7074937

CC(C)(C)OC(=O)ON1CCC(c2ccc(OCCOc3ccccc3)cc2)C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4B Q07343 1/20 0.40
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GPR119 Q8TDV5 4/20 0.36
KDM1A O60341 1/20 0.36
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RORC P51449 1/20 0.36
LTA4H P09960 1/20 0.36
PKM P14618 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
SCHEMBL6951315 0.97 PDE4B (0.41) MEN1KMT2APDE4BHTTKDM4E
SCHEMBL6954512 0.97 PDE4B (0.43) MEN1KMT2APDE4BHTTNPC1
SCHEMBL6959991 0.91 S1PR1 (0.46) KDM4EKDM1AALDH1A1LMNA
SCHEMBL6959176 0.91 MEN1 (0.39) MEN1KMT2APDE4BHTTKDM1A
SCHEMBL6959516 0.91 KMT2A (0.39) MEN1KMT2APDE4BHTTKDM4E
SCHEMBL6956098 0.91 MEN1 (0.39) MEN1KMT2APDE4BHTTKDM1A
SCHEMBL7077954 0.91 KMT2A (0.40) MEN1KMT2AHTTKDM4EGPR119
SCHEMBL6959509 0.91 NPC1 (0.44) NPC1KDM4EKDM1AALDH1A1LMNA
SCHEMBL7076319 0.91 KDM1A (0.40) MEN1KMT2AKDM4EKDM1AALDH1A1
SCHEMBL6957302 0.91 S1PR1 (0.43) MEN1KMT2AKDM4EKDM1AALDH1A1

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