SCHEMBL31316156

SCHEMBL31316156

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.58
▸ SLC6A2 P23975 1/20 0.48
▸ RAMP1 O60894 1/20 0.47
▸ XIAP P98170 2/20 0.47
▸ CAPN1 P07384 4/20 0.46
▸ CTSB P07858 1/20 0.44
▸ MLX Q9UH92 1/20 0.43
▸ ELANE P08246 2/20 0.43
▸ CASP3 P42574 1/20 0.41
▸ CASP2 P42575 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
SCHEMBL30525445 0.87 CAPN1 (0.53) CALCRLSLC6A2RAMP1XIAPCAPN1
SCHEMBL29630615 0.86 CALCRL (0.48) CALCRLSLC6A2RAMP1XIAPCAPN1
SCHEMBL29434651 0.86 CAPN1 (0.54) CALCRLSLC6A2XIAPCAPN1CTSB
SCHEMBL30122826 0.84 SLC6A2 (0.62) CALCRLSLC6A2RAMP1
SCHEMBL29959682 0.84 SLC6A2 (0.54) CALCRLSLC6A2RAMP1XIAPCAPN1
SCHEMBL31347657 0.84 CALCRL (0.54) CALCRLSLC6A2RAMP1CAPN1CTSB
SCHEMBL31410876 0.84 CALCRL (0.49) CALCRLSLC6A2RAMP1XIAPCAPN1
SCHEMBL30525434 0.83 CALCRL (0.50) CALCRLSLC6A2RAMP1XIAPCAPN1
SCHEMBL30150576 0.83 CALCRL (0.47) CALCRLSLC6A2RAMP1XIAPCAPN1
SCHEMBL29591478 0.83 CAPN1 (0.50) CALCRLSLC6A2RAMP1XIAPCAPN1

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
CN-119241649-B Pacific-fold-and-flex-fish viscera group ACE (angiotensin converting enzyme) inhibitory peptide as well as preparation method and application thereof 中国水产科学研究院黄海水产研究所 2025-05-16 — — CN disclosed
CN-119241649-A Pacific-fold-and-flex-fish viscera group ACE (angiotensin converting enzyme) inhibitory peptide as well as preparation method and application thereof 中国水产科学研究院黄海水产研究所 2025-01-03 — — CN disclosed
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