SCHEMBL7055848

SCHEMBL7055848

COc1cccc(CNC[C@H](O)[CH]Cc2ccc(C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM2 P08172 1/20 0.47
BCHE P06276 2/20 0.47
MMP13 P45452 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
YWHAH Q04917 1/20 0.44
KCNH2 Q12809 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
CTSD P07339 1/20 0.44
SCN8A Q9UQD0 1/20 0.44

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
SCHEMBL7111374 0.93 HTT (0.52) DNM1MEN1KMT2ACHRM2BCHE
SCHEMBL27593038 0.91 DNM1 (0.55) DNM1MEN1KMT2ACHRM2BCHE
SCHEMBL7054663 0.91 DNM1 (0.55) DNM1MEN1KMT2ACHRM2BCHE
SCHEMBL7048773 0.91 DNM1 (0.54) DNM1MEN1KMT2ACHRM2BCHE
SCHEMBL7112618 0.91 DNM1 (0.49) DNM1MEN1KMT2ACHRM2BCHE
SCHEMBL27576822 0.91 DNM1 (0.49) DNM1MEN1KMT2ACHRM2BCHE
SCHEMBL7115591 0.89 DNM1 (0.48) DNM1MEN1KMT2ACHRM2BCHE
SCHEMBL7055987 0.89 HTT (0.55) DNM1MEN1KMT2ACHRM2BCHE
SCHEMBL7048367 0.88 BCHE (0.47) DNM1MEN1KMT2ACHRM2BCHE
SCHEMBL7053205 0.86 DNM1 (0.49) DNM1MEN1KMT2ACHRM2BCHE

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