Sugi Predict

Sugi Predict / Compounds / SCHEMBL7946401

SCHEMBL7946401

SCHEMBL7946401

CO[C@@H](CO)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.89
▸ CTSD P07339 8/20 0.70

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
SCHEMBL7937344 0.96 BACE1 (0.92) BACE1CTSD
SCHEMBL7946526 0.94 BACE1 (1.00) BACE1CTSD
SCHEMBL7943683 0.93 BACE1 (0.94) BACE1CTSD
SCHEMBL7944898 0.92 BACE1 (0.88) BACE1CTSD
SCHEMBL7943679 0.91 BACE1 (1.00) BACE1CTSD
SCHEMBL7945904 0.90 BACE1 (1.00) BACE1CTSD
SCHEMBL7944437 0.90 BACE1 (0.95) BACE1CTSD
SCHEMBL7946434 0.89 BACE1 (1.00) BACE1CTSD
SCHEMBL7948772 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL7943008 0.88 BACE1 (0.80) BACE1CTSD

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-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 — — WO disclosed