SCHEMBL29549540

SCHEMBL29549540

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.52
CTSD P07339 4/20 0.52
ECE1 P42892 2/20 0.47
MME P08473 2/20 0.45

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
SCHEMBL29798178 0.93 BACE1 (0.53) BACE1CTSDMME
SCHEMBL29797982 0.90 BACE1 (0.50) BACE1CTSDMME
SCHEMBL29798028 0.90 BACE1 (0.57) BACE1CTSDECE1
SCHEMBL30737580 0.89 BACE1 (0.50) BACE1CTSDECE1MME
SCHEMBL29784846 0.88 MME (0.52) BACE1CTSDMME
SCHEMBL30063231 0.87 ECE1 (0.47) BACE1CTSDECE1MME
SCHEMBL31073604 0.87 MME (0.55) BACE1CTSDECE1MME
SCHEMBL29630774 0.87 ECE1 (0.56) BACE1CTSDECE1
SCHEMBL30737622 0.87 ECE1 (0.56) BACE1CTSDECE1
SCHEMBL29473704 0.86 MME (0.46) BACE1CTSDECE1MME

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-2022068078-A1 ANTI-HUMAN CXCL-2 MONOCLONAL ANTIBODY 3-D3, AND CODING GENE AND USE THEREOF 浙江大学 2022-04-07 WO disclosed