SCHEMBL5224504

SCHEMBL5224504

CCN1CCc2c1cc(C(=O)O)cc2N1CCCCS1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
TP53 P04637 6/20 0.35
MAPT P10636 1/20 0.34
PARP1 P09874 1/20 0.33
INMT O95050 1/20 0.33
PTGER1 P34995 1/20 0.32
ACHE P22303 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 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
SCHEMBL5224501 0.88 POLB (0.36) POLBINMTACHE
SCHEMBL5222432 0.87 TP53 (0.38) POLBTP53MAPT
SCHEMBL5219323 0.77 POLB (0.39) POLBTP53MAPTPTGER1
SCHEMBL5222429 0.76 SMN1; SMN2 (0.34) TP53MAPT
SCHEMBL5219490 0.74 BACE1 (0.50) POLBTP53MAPTCTSDBACE1
SCHEMBL5218338 0.74 POLB (0.46) POLBTP53MAPTPTGER1CTSD
SCHEMBL5224403 0.73 POLB (0.45) POLBTP53PTGER1CTSDBACE1
SCHEMBL5217621 0.73 POLB (0.43) POLBTP53MAPTPTGER1CTSD
SCHEMBL6184274 0.72 POLB (0.39) POLBTP53
SCHEMBL5218650 0.71 POLB (0.44) POLBTP53CTSDBACE1BACE2

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