SCHEMBL30738394

SCHEMBL30738394

CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.41
ECE1 P42892 2/20 0.39
CTSD P07339 2/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL29853431 1.00 BACE1 (0.41) BACE1ECE1CTSDCASP3CASP7
SCHEMBL30129742 0.95 ECE1 (0.43) BACE1ECE1
SCHEMBL31448410 0.94 FNTA (0.38) BACE1CTSDCASP3CASP7
SCHEMBL29853203 0.94 FNTA (0.38) BACE1CTSDCASP3CASP7
SCHEMBL20397445 0.93 FNTA (0.37) BACE1CTSDCASP3CASP7
SCHEMBL20397476 0.93 FNTA (0.37) BACE1CTSDCASP3CASP7
SCHEMBL31049654 0.91 CTSD (0.38) BACE1CTSDCASP3CASP7
SCHEMBL31448364 0.90 OPRD1 (0.41) BACE1CTSDCASP3CASP7
SCHEMBL30458095 0.90 OPRD1 (0.41) BACE1CTSDCASP3CASP7
SCHEMBL29881377 0.89 CTSD (0.35) BACE1ECE1CTSDCASP3CASP7

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
EP-4561536-A1 LOADED EXTRACELLULAR VESICLE Oxford University Innovation Limited (GB) 2025-06-04 EP disclosed
WO-2024023504-A1 LOADED EXTRACELLULAR VESICLE OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-02-01 WO disclosed