SCHEMBL5225215

SCHEMBL5225215

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 15/20 0.43
MMP9 P14780 3/20 0.41
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP8 P22894 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL5220607 1.00 VIPR2 (0.43) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL5220613 1.00 VIPR2 (0.43) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL5225206 1.00 VIPR2 (0.43) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL5381508 0.91 VIPR2 (0.41) VIPR2MMP9MMP1PSEN1PSEN2
SCHEMBL5381516 0.91 VIPR2 (0.41) VIPR2MMP9MMP1PSEN1PSEN2
SCHEMBL5218168 0.81 CTSD (0.44) MMP9MMP1MMP2MMP8
SCHEMBL5218164 0.81 CTSD (0.44) MMP9MMP1MMP2MMP8
SCHEMBL6102453 0.78 VIPR2 (0.40) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL5433804 0.78 VIPR2 (0.40) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL5394031 0.78 KLK5 (0.51) VIPR2PSEN1PSEN2APH1BNCSTN

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