SCHEMBL7048367

SCHEMBL7048367

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
DNM1 Q05193 1/20 0.47
YWHAH Q04917 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM2 P08172 1/20 0.45
KCNH2 Q12809 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTSD P07339 1/20 0.43
KDM4E B2RXH2 1/20 0.43
BACE1 P56817 1/20 0.42

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 0.91 HTT (0.52) BCHELMNAALDH1A1DNM1MEN1
SCHEMBL7055987 0.90 HTT (0.55) BCHELMNAALDH1A1DNM1MEN1
SCHEMBL27593038 0.89 DNM1 (0.55) BCHEALDH1A1DNM1MEN1KMT2A
SCHEMBL7054663 0.89 DNM1 (0.55) BCHEALDH1A1DNM1MEN1KMT2A
SCHEMBL7048773 0.89 DNM1 (0.54) BCHELMNAALDH1A1DNM1MEN1
SCHEMBL27576822 0.88 DNM1 (0.49) BCHEALDH1A1DNM1YWHAHMEN1
SCHEMBL7055848 0.88 DNM1 (0.49) BCHEALDH1A1DNM1YWHAHMEN1
SCHEMBL7112618 0.88 DNM1 (0.49) BCHEALDH1A1DNM1YWHAHMEN1
SCHEMBL7115591 0.87 DNM1 (0.48) BCHEALDH1A1DNM1MEN1KMT2A
SCHEMBL7053205 0.84 DNM1 (0.49) BCHEDNM1MEN1KMT2ACHRM2

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