SCHEMBL28081099

SCHEMBL28081099

CC(C)C(NC(=O)C(N)CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NCC(=O)NCC(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.43
FURIN P09958 2/20 0.41
BACE1 P56817 7/20 0.39
CTSD P07339 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39

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
SCHEMBL28081121 0.96 OPRD1 (0.45) OPRD1FURINBACE1CTSDBACE2
SCHEMBL28081105 0.88 BACE1 (0.47) OPRD1FURINBACE1CTSDBACE2
SCHEMBL29986116 0.87 GNAI3 (0.45) FURIN
SCHEMBL28081212 0.87 EGFR (0.49) FURINBACE1CTSDBACE2
SCHEMBL30579778 0.85 NMT2 (0.46) FURINBACE1CTSDBACE2
SCHEMBL30242247 0.85 GNPAT (0.49) BACE1CTSDBACE2
SCHEMBL32679434 0.84 GNAI3 (0.47) FURIN
SCHEMBL30810263 0.84 BACE1 (0.50) OPRD1BACE1CTSDBACE2
SCHEMBL30876813 0.84 BACE1 (0.45) FURINBACE1CTSDBACE2
SCHEMBL28081113 0.84 BACE1 (0.49) FURINBACE1CTSDBACE2

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
CN-105683390-A HbA1c measurement method using amadoriase acting on glycated peptides 龟甲万株式会社 2016-06-15 CN claimed
CN-105683390-A HbA1c measurement method using amadoriase acting on glycated peptides 龟甲万株式会社 2016-06-15 CN disclosed