SCHEMBL30099562

SCHEMBL30099562

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

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 2/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ SLC7A5 Q01650 1/20 0.41

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
SCHEMBL29568512 0.97 CTSD (0.40) CTSDBACE1SLC7A5
SCHEMBL30052710 0.89 SLC7A5 (0.48) SLC7A5
SCHEMBL30678816 0.86 SLC7A5 (0.46) SLC7A5
SCHEMBL30051227 0.86 BACE1 (0.51) CTSDBACE1SLC7A5
SCHEMBL30099546 0.85 SLC7A5 (0.44) SLC7A5
SCHEMBL30905099 0.85 SLC7A5 (0.44) SLC7A5
SCHEMBL29460679 0.84 ALDH1A1 (0.43) CTSDBACE1SLC7A5
SCHEMBL30099474 0.84 OPRM1 (0.42) CTSDBACE1
SCHEMBL3059718 0.84 OPRD1 (0.45) SLC7A5
SCHEMBL3059726 0.84 OPRD1 (0.45) SLC7A5

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-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO claimed
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