SCHEMBL5224068

SCHEMBL5224068

O=C(O)c1cc(C2CCCC2)cc(N2CCCS2(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
KMO O15229 1/20 0.43
TP53 P04637 7/20 0.40
PTGER1 P34995 2/20 0.39
F10 P00742 1/20 0.38
CREBBP Q92793 2/20 0.37
AKR1C3 P42330 1/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5222292 0.96 POLB (0.59) POLBKMOTP53PTGER1F10
SCHEMBL5224062 0.87 KMO (0.43) POLBKMOCREBBP
SCHEMBL5216490 0.85 TP53 (0.44) POLBTP53F10AKR1C3MAPT
SCHEMBL5222301 0.83 POLB (0.43) POLBKMOCREBBPBACE1BACE2
SCHEMBL5223381 0.82 POLB (0.45) POLBTP53BACE1BACE2MAPT
SCHEMBL5900600 0.79 POLB (0.59) POLBTP53PTGER1F10MAPT
SCHEMBL18767065 0.75 POLB (0.54) POLBTP53PTGER1BACE1BACE2
SCHEMBL30912307 0.74 KMO (0.70) POLBKMOCREBBP
SCHEMBL27893460 0.74 KMO (0.65) POLBKMOCREBBP
SCHEMBL5218382 0.74 TP53 (0.43) POLBTP53MAPT

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