SCHEMBL5524248

SCHEMBL5524248

CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.53
▸ CTSB P07858 3/20 0.46
▸ XIAP P98170 1/20 0.44
▸ GRB2 P62993 1/20 0.43
▸ DPP3 Q9NY33 1/20 0.42
▸ NTSR2 O95665 2/20 0.40
▸ NTSR1 P30989 2/20 0.40
▸ GNRHR P30968 3/20 0.40
▸ LNPEP Q9UIQ6 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ REN P00797 1/20 0.39

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
SCHEMBL5524245 1.00 CAPN1 (0.53) CAPN1CTSBXIAPGRB2DPP3
SCHEMBL32681286 0.91 CAPN1 (0.54) CAPN1CTSBXIAPGRB2DPP3
SCHEMBL32681296 0.90 CAPN1 (0.55) CAPN1CTSBXIAPGRB2DPP3
SCHEMBL5521229 0.89 CAPN1 (0.51) CAPN1CTSBREN
SCHEMBL5521222 0.89 CAPN1 (0.51) CAPN1CTSBREN
SCHEMBL30867031 0.87 CAPN1 (0.53) CAPN1CTSBXIAPGRB2NTSR2
SCHEMBL29630574 0.87 CAPN1 (0.49) CAPN1CTSBXIAPGRB2DPP3
SCHEMBL30141557 0.86 CAPN1 (0.51) CAPN1CTSBXIAPNTSR2NTSR1
SCHEMBL30498898 0.85 CAPN1 (0.49) CAPN1CTSBREN
SCHEMBL31518666 0.85 XIAP (0.47) CAPN1CTSBXIAP

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-20070224685-A1 Reagent Containing Protease Reaction Promoter and/or Colorant Stabilizer ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-27 — — US disclosed
EP-1788081-A1 REAGENT CONTAINING PROTEASE REACTION PROMOTER AND/OR COLORANT STABILIZER Asahi Kasei Pharma Corporation (JP) 2007-05-23 — — EP disclosed
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