SCHEMBL6890899

SCHEMBL6890899

CCCOCCNC(c1ccccc1)C(N)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
KDM4E B2RXH2 4/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
BCHE P06276 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
SCHEMBL6895074 0.85 HPGD (0.44) AOC3KDM4EADRA2AADRA2CLMNA
SCHEMBL6890858 0.82 SIGMAR1 (0.50) LMNAALDH1A1NPSR1
SCHEMBL6896045 0.80 ALDH1A1 (0.49) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6894568 0.79 CYP3A4 (0.44) AOC3KDM4EADRA2AADRA2CLMNA
SCHEMBL6889436 0.77 SIGMAR1 (0.49) AOC3ADRA2ALMNAHIF1AALDH1A1
SCHEMBL6894924 0.75 KDM4E (0.43) AOC3KDM4EADRA2AADRA2CLMNA
SCHEMBL6895263 0.75 KDM4E (0.43) AOC3KDM4EADRA2AADRA2CLMNA
SCHEMBL6887458 0.75 SIGMAR1 (0.51) KMT2A
SCHEMBL6887737 0.74 ANPEP (0.37) AOC3KDM4EADRA2AADRA2CLMNA
SCHEMBL6895745 0.74 LMNA (0.47) KDM4EADRA2AADRA2CLMNAHIF1A

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
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed