SCHEMBL5222055

SCHEMBL5222055

CCCCNc1cc(C(=O)OC)cc(N2CCCC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 1/20 0.51
CTSD P07339 12/20 0.46
BACE1 P56817 12/20 0.46
BACE2 Q9Y5Z0 11/20 0.46
CYP1A2 P05177 1/20 0.45
USP2 O75604 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 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
SCHEMBL5217461 0.97 ALDH1A1 (0.47) ALDH1A1HSD17B10CTSDBACE1BACE2
SCHEMBL5221058 0.93 USP2 (0.46) ALDH1A1HSD17B10CTSDBACE1BACE2
SCHEMBL5217257 0.91 ALDH1A1 (0.50) ALDH1A1HSD17B10CTSDBACE1BACE2
SCHEMBL5222337 0.90 USP2 (0.46) ALDH1A1HSD17B10CTSDBACE1BACE2
SCHEMBL5217571 0.87 CTSD (0.51) ALDH1A1HSD17B10CTSDBACE1BACE2
SCHEMBL5223281 0.85 CTSD (0.48) ALDH1A1CTSDBACE1BACE2CYP1A2
SCHEMBL5222224 0.83 ALDH1A1 (0.51) ALDH1A1HSD17B10CTSDBACE1BACE2
SCHEMBL5220917 0.83 CTSD (0.49) ALDH1A1CTSDBACE1BACE2GAA
SCHEMBL5224797 0.83 MEN1 (0.44) ALDH1A1CTSDBACE1BACE2CYP1A2
SCHEMBL5223014 0.82 CTSD (0.48) ALDH1A1HSD17B10CTSDBACE1BACE2

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