SCHEMBL5223014

SCHEMBL5223014

COC(=O)c1cc(NCC2CC2)cc(N2CCCC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 9/20 0.48
BACE1 P56817 9/20 0.48
BACE2 Q9Y5Z0 8/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5221660 0.90 CTSD (0.50) CTSDBACE1BACE2MEN1KMT2A
SCHEMBL5221058 0.84 USP2 (0.46) CTSDBACE1BACE2MEN1KMT2A
SCHEMBL5224797 0.83 MEN1 (0.44) CTSDBACE1BACE2MEN1KMT2A
SCHEMBL5220917 0.83 CTSD (0.49) CTSDBACE1BACE2MEN1KMT2A
SCHEMBL5222055 0.82 ALDH1A1 (0.51) CTSDBACE1BACE2MEN1KMT2A
SCHEMBL5220800 0.81 NPC1 (0.51) CTSDBACE1BACE2MEN1KMT2A
SCHEMBL475775 0.81 MEN1 (0.56) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL5219444 0.81 MEN1 (0.56) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL5217461 0.81 ALDH1A1 (0.47) CTSDBACE1BACE2MEN1KMT2A
SCHEMBL5223281 0.81 CTSD (0.48) CTSDBACE1BACE2MEN1KMT2A

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