SCHEMBL7054852

SCHEMBL7054852

CC(O)CNC[C@H](O)[CH]Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GAA P10253 1/20 0.36
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL27598444 0.90 HPGD (0.42) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL5219600 0.83 ANPEP (0.46) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL5391447 0.82 ABCB1 (0.46) CYP1A2CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL4044904 0.78 EPHX1 (0.51) KDM4EL3MBTL1
SCHEMBL3914454 0.78 ADRB2 (0.40) ALDH1A1MEN1KMT2AADRB2TAAR1
SCHEMBL3915041 0.78 ADRB2 (0.40) ALDH1A1MEN1KMT2AADRB2TAAR1
SCHEMBL3468847 0.77 MEN1 (0.34) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL7051118 0.76 OPRD1 (0.47) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL27592798 0.76 KDM4E (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
Methylamine SCHEMBL28758829 0.75 SIGMAR1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A

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