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Sugi Predict / Compounds / SCHEMBL29630401

SCHEMBL29630401

SCHEMBL29630401

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.48
▸ CTSD P07339 4/20 0.48
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ ENPEP Q07075 5/20 0.45

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
SCHEMBL30637768 0.96 BACE1 (0.47) BACE1CTSDBACE2ENPEP
SCHEMBL30658580 0.92 BACE1 (0.54) BACE1CTSDBACE2ENPEP
SCHEMBL30199868 0.92 BACE1 (0.44) BACE1CTSDBACE2ENPEP
SCHEMBL30658571 0.92 BACE1 (0.54) BACE1CTSDBACE2ENPEP
SCHEMBL30658555 0.92 BACE1 (0.54) BACE1CTSDBACE2ENPEP
SCHEMBL29630631 0.92 FOLH1 (0.54) BACE1CTSDBACE2
SCHEMBL30836809 0.92 FOLH1 (0.54) BACE1CTSDBACE2
SCHEMBL29695558 0.91 BACE1 (0.43) BACE1CTSDBACE2
SCHEMBL31514359 0.90 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL29660915 0.89 DPP4 (0.54) BACE1CTSDBACE2ENPEP

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