SCHEMBL7306880

SCHEMBL7306880

CC(C)(CO)C(=O)N[C@@H](Cc1ccccc1)C(O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.54
BACE1 P56817 10/20 0.53
SLC6A11 P48066 1/20 0.48

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
SCHEMBL7306547 0.92 BCHE (0.53) BCHEBACE1SLC6A11
SCHEMBL7314309 0.89 BCHE (0.57) BCHEBACE1SLC6A11
SCHEMBL7309285 0.88 BCHE (0.52) BCHEBACE1SLC6A11
SCHEMBL7304058 0.88 BCHE (0.54) BCHEBACE1SLC6A11
SCHEMBL7314799 0.88 BCHE (0.56) BCHEBACE1SLC6A11
SCHEMBL7307804 0.87 BCHE (0.51) BCHEBACE1SLC6A11
SCHEMBL7305633 0.85 BACE1 (0.60) BCHEBACE1SLC6A11
SCHEMBL7306846 0.85 BACE1 (0.60) BCHEBACE1SLC6A11
SCHEMBL7309938 0.84 BCHE (0.53) BCHEBACE1SLC6A11
SCHEMBL7303300 0.84 BCHE (0.57) BCHEBACE1SLC6A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559256-A Aminediol protease inhibitors E. R. SQUIBB & SONS, INC. (US) 1996-09-24 US disclosed
EP-0580402-A2 Aminediol protease inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-01-26 EP disclosed