SCHEMBL29630604

SCHEMBL29630604

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.55
▸ BACE2 Q9Y5Z0 3/20 0.55
▸ CTSD P07339 3/20 0.54
▸ ENPEP Q07075 5/20 0.49
▸ FOLH1 Q04609 2/20 0.49

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
SCHEMBL30903473 0.94 BACE1 (0.54) BACE1BACE2CTSDFOLH1
SCHEMBL29968303 0.92 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL30601804 0.91 ENPEP (0.57) BACE1BACE2CTSDENPEP
SCHEMBL5329396 0.91 FOLH1 (0.57) BACE1BACE2CTSDENPEPFOLH1
SCHEMBL31361486 0.91 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL29517347 0.91 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL30092582 0.91 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL31457859 0.91 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL30965435 0.91 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL30788029 0.90 BACE1 (0.48) BACE1BACE2CTSDENPEP

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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