SCHEMBL6894859

SCHEMBL6894859

CC(C)(C)c1cccc(CNCC(O)C(Cc2ccccc2)NC(=O)O)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.79
BCHE P06276 10/20 0.79
CTSD P07339 2/20 0.59
BACE2 Q9Y5Z0 1/20 0.54

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
SCHEMBL7610033 1.00 BACE1 (0.79) BACE1BCHECTSDBACE2
SCHEMBL7610025 1.00 BACE1 (0.79) BACE1BCHECTSDBACE2
SCHEMBL3508389 0.92 BACE1 (0.68) BACE1BCHECTSDBACE2
SCHEMBL3508386 0.92 BACE1 (0.68) BACE1BCHECTSDBACE2
SCHEMBL3508384 0.92 BACE1 (0.68) BACE1BCHECTSDBACE2
SCHEMBL3510193 0.91 BACE1 (0.67) BACE1BCHECTSDBACE2
SCHEMBL3510190 0.91 BACE1 (0.67) BACE1BCHECTSDBACE2
SCHEMBL3510195 0.91 BACE1 (0.67) BACE1BCHECTSDBACE2
SCHEMBL1938015 0.89 BACE1 (0.79) BACE1BCHECTSDBACE2
SCHEMBL1938012 0.89 BACE1 (0.79) BACE1BCHECTSDBACE2

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