SCHEMBL5218338

SCHEMBL5218338

CCn1ccc2c(N3CCCCS3(=O)=O)cc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
BACE1 P56817 5/20 0.35
CTSD P07339 4/20 0.35
BACE2 Q9Y5Z0 4/20 0.35
TP53 P04637 2/20 0.34
CYP19A1 P11511 1/20 0.33
MAPT P10636 1/20 0.32
DRD3 P35462 1/20 0.32
PTGER1 P34995 1/20 0.32
CALCA P06881 1/20 0.32

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
SCHEMBL5220119 0.97 POLB (0.42) POLBBACE1CTSDBACE2TP53
SCHEMBL5218348 0.89 BACE1 (0.37) POLBBACE1CTSDBACE2CYP19A1
SCHEMBL5222266 0.88 KDM4E (0.38) POLBBACE1CTSDBACE2TP53
SCHEMBL5220117 0.85 BACE1 (0.37) POLBBACE1CTSDBACE2CYP19A1
SCHEMBL5220039 0.85 TP53 (0.39) POLBBACE1CTSDBACE2TP53
SCHEMBL5217621 0.79 POLB (0.43) POLBBACE1CTSDBACE2TP53
SCHEMBL5222272 0.78 BACE1 (0.37) POLBBACE1CTSDBACE2
SCHEMBL5225090 0.76 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL5219134 0.76 POLB (0.39) POLBBACE1CTSDBACE2TP53
SCHEMBL5222594 0.76 POLB (0.39) POLBBACE1CTSDBACE2TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed