SCHEMBL7398181

SCHEMBL7398181

CC(C)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.65
KLK5 Q9Y337 1/20 0.63

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
SCHEMBL7395668 0.92 KLK5 (0.75) BACE1KLK5
SCHEMBL9394616 0.88 KLK5 (0.62) BACE1KLK5
SCHEMBL5619596 0.88 KLK5 (0.62) BACE1KLK5
SCHEMBL7402507 0.88 BACE1 (0.61) BACE1KLK5
SCHEMBL7400784 0.88 BACE1 (0.61) BACE1KLK5
SCHEMBL7400774 0.87 KLK5 (0.58) BACE1KLK5
SCHEMBL7392856 0.84 KLK5 (0.67) BACE1KLK5
SCHEMBL7294584 0.83 PSEN1 (0.71) BACE1KLK5
SCHEMBL5620574 0.82 BACE1 (0.55) BACE1KLK5
SCHEMBL5620577 0.82 BACE1 (0.55) BACE1KLK5

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
WO-1993009132-A1 HIV PROTEASE INHIBITORS CONTAINING GUANIDINE SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO disclosed