SCHEMBL29630574

SCHEMBL29630574

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.49
▸ XIAP P98170 5/20 0.46
▸ CTSB P07858 1/20 0.45
▸ SLC6A2 P23975 1/20 0.42
▸ GRB2 P62993 1/20 0.41
▸ DPP3 Q9NY33 1/20 0.41
▸ MLX Q9UH92 1/20 0.40

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
SCHEMBL29630498 0.93 CAPN1 (0.51) CAPN1XIAPCTSBSLC6A2GRB2
SCHEMBL29630674 0.91 CAPN1 (0.53) CAPN1XIAPCTSBSLC6A2GRB2
SCHEMBL29679608 0.89 CAPN1 (0.49) CAPN1XIAPCTSBSLC6A2GRB2
SCHEMBL32689777 0.89 CAPN1 (0.57) CAPN1XIAPCTSBSLC6A2GRB2
SCHEMBL30123097 0.88 ACE (0.49) CAPN1
SCHEMBL16330317 0.88 XIAP (0.47) XIAPSLC6A2GRB2DPP3
SCHEMBL16351062 0.88 XIAP (0.47) XIAPSLC6A2GRB2DPP3
SCHEMBL16339217 0.88 XIAP (0.47) XIAPSLC6A2GRB2DPP3
SCHEMBL29630809 0.87 CAPN1 (0.45) CAPN1XIAPCTSBSLC6A2GRB2
SCHEMBL5524248 0.87 CAPN1 (0.53) CAPN1XIAPCTSBGRB2DPP3

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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