SCHEMBL5070534

SCHEMBL5070534

Cc1ccc(C(CC(N)=O)CP(=O)(O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 11/20 0.48
MME P08473 10/20 0.48
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
APP P05067 1/20 0.43
KLK5 Q9Y337 2/20 0.42
ATM Q13315 1/20 0.42
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 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
SCHEMBL5041973 0.79 ALDH1A1 (0.49) ECE1MMEMMP8MMP14ATM
SCHEMBL5135601 0.79 ECE1 (0.48) ECE1MMEMMP8MMP14ATM
SCHEMBL5070528 0.79 ECE1 (0.48) ECE1MMEMMP8MMP14ATM
SCHEMBL5070532 0.79 ATM (0.43) ECE1MMP8MMP14APPKLK5
SCHEMBL5071371 0.79 ECE1 (0.55) ECE1MME
SCHEMBL5034257 0.78 ECE1 (0.50) ECE1MMEATMCTSSCTSL
SCHEMBL6929264 0.78 ACE2 (0.62) ECE1MME
SCHEMBL5069554 0.77 ECE1 (0.48) ECE1MMEMMP8MMP14KLK5
SCHEMBL5134614 0.77 ECE1 (0.51) ECE1MMEMMP8MMP14
SCHEMBL5034289 0.76 ECE1 (0.53) ECE1MMEMMP8MMP14KLK5

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-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed