SCHEMBL6895263

SCHEMBL6895263

CC(O)CNC(c1ccccc1)C(N)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
ANPEP P15144 1/20 0.42
ALDH1A1 P00352 2/20 0.42
AOC3 Q16853 5/20 0.41
APAF1 O14727 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.38
F2 P00734 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL6894924 0.90 KDM4E (0.43) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6887737 0.82 ANPEP (0.37) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6895745 0.82 LMNA (0.47) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL9729467 0.81 AOC3 (0.53) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6894568 0.81 CYP3A4 (0.44) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6889436 0.80 SIGMAR1 (0.49) ADRA2ALMNAHIF1AANPEPALDH1A1
SCHEMBL6895074 0.78 HPGD (0.44) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6895959 0.77 ADRA2C (0.47) KDM4EADRA2AADRA2CLMNAHIF1A
Hydrochloric Acid SCHEMBL4691512 0.77 KMT2A (0.52) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL6895808 0.77 SMN1; SMN2 (0.57) KDM4ELMNAALDH1A1CYP1A2CYP2D6

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