SCHEMBL6956320

SCHEMBL6956320

C=CCOc1ccc(C2CCN(OC(=O)OC(C)(C)C)CC2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM1A O60341 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
OGA O60502 1/20 0.35
HTR2A P28223 1/20 0.33
LIPE Q05469 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6959176 0.88 MEN1 (0.39) MEN1KMT2AKDM1A
SCHEMBL6956098 0.88 MEN1 (0.39) MEN1KMT2AKDM1A
SCHEMBL6954070 0.85 MEN1 (0.42) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL6949915 0.85 KMT2A (0.41) MEN1KMT2ATSHRALDH1A1NPC1
SCHEMBL7074937 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1NPC1KDM1A
SCHEMBL6959509 0.84 NPC1 (0.44) ALDH1A1NPC1RAB9AKDM1ASMN1; SMN2
SCHEMBL6954512 0.84 PDE4B (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6951315 0.84 PDE4B (0.41) MEN1KMT2AALDH1A1GPR119
SCHEMBL7077954 0.84 KMT2A (0.40) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL6954859 0.84 MEN1 (0.40) MEN1KMT2AMAPTKDM1ALIPE

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