SCHEMBL30385451

SCHEMBL30385451

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.59
LTA4H P09960 1/20 0.53
MMP2 P08253 1/20 0.53
MMP7 P09237 1/20 0.53
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
CTSD P07339 1/20 0.53
KISS1R Q969F8 4/20 0.53

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
SCHEMBL30386347 0.99 BACE1 (0.60) BACE1LTA4HMMP2MMP7MMP9
SCHEMBL30385698 0.94 BACE1 (0.61) BACE1LTA4HMMP2MMP7MMP9
SCHEMBL8975237 0.92 LTA4H (0.60) LTA4HMMP2MMP7MMP9MMP12
SCHEMBL31276975 0.91 MME (0.53) BACE1CTSD
SCHEMBL29658147 0.90 BACE1 (0.61) BACE1MMP2MMP7MMP9MMP12
SCHEMBL30728879 0.90 BACE1 (0.59) BACE1LTA4HMMP2MMP7MMP9
SCHEMBL30463289 0.90 BACE1 (0.61) BACE1MMP2MMP7MMP9MMP12
SCHEMBL27983689 0.90 LTA4H (0.64) LTA4H
SCHEMBL29416114 0.89 BACE1 (0.57) BACE1LTA4HCTSDKISS1R
SCHEMBL30799566 0.88 BACE1 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041430-A Mung bean derived assembly peptide and preparation method and application thereof 上海理工大学 2023-05-02 CN claimed
CN-116041430-A Mung bean derived assembly peptide and preparation method and application thereof 上海理工大学 2023-05-02 CN disclosed
CN-116041430-A Mung bean derived assembly peptide and preparation method and application thereof 上海理工大学 2023-05-02 CN disclosed