Ether

Ether

SCHEMBL2009992

CCOCC.COc1ccc(COc2cc(C)c3ccccc3n2)cc1.Cc1ccnc2ccccc12

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
LMNA P02545 2/20 0.54
PDE2A O00408 1/20 0.45
TLR8 Q9NR97 1/20 0.44
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 3/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LRRK2 Q5S007 1/20 0.39
ACP1 P24666 1/20 0.39

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
SCHEMBL30524940 0.88 LMNA (0.68) L3MBTL1LMNAPDE2AMAPTRAB9A
SCHEMBL2005868 0.88 LMNA (0.68) L3MBTL1LMNAPDE2AMAPTRAB9A
SCHEMBL12572410 0.77 HTT (0.50) L3MBTL1LMNAMAPTKDM4ESMN1; SMN2
Ether SCHEMBL2007543 0.76 LOXL2 (0.46) MAPTRAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8273082 0.72 L3MBTL1 (0.56) L3MBTL1LMNAMAPTRAB9AKDM4E
SCHEMBL28593997 0.69 LMNA (0.61) L3MBTL1LMNAMAPTRAB9AKDM4E
SCHEMBL9292810 0.69 RAB9A (0.48) L3MBTL1LMNAMAPTRAB9AKDM4E
SCHEMBL423891 0.68 L3MBTL1 (0.71) L3MBTL1LMNAMAPTRAB9AKDM4E
SCHEMBL13543478 0.68 L3MBTL1 (0.51) L3MBTL1LMNAMAPTRAB9AKDM4E
SCHEMBL2176479 0.67 MAOB (0.58) MAPTRAB9AMEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960553-B1 Reagent for synthesis of para-methoxbenzyl (PMB) ethers and associated methods Florida State University Research Founation, Inc. (US) 2011-06-14 US disclosed