SCHEMBL30498899

SCHEMBL30498899

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ OPRK1 P41145 5/20 0.41
▸ ACE P12821 1/20 0.41
▸ REN P00797 2/20 0.41
▸ CAPN1 P07384 6/20 0.40
▸ CALCRL Q16602 1/20 0.40
▸ CTSB P07858 3/20 0.39
▸ TGM2 P21980 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
SCHEMBL30611006 0.94 CAPN1 (0.44) SLC6A2MEN1KMT2AOPRK1REN
SCHEMBL29630560 0.93 OPRK1 (0.46) SLC6A2MEN1KMT2AOPRK1ACE
SCHEMBL29590547 0.93 OPRK1 (0.46) SLC6A2MEN1KMT2AOPRK1ACE
SCHEMBL29630596 0.91 MEN1 (0.43) MEN1KMT2AOPRK1ACEREN
SCHEMBL30454445 0.91 CAPN1 (0.46) SLC6A2OPRK1ACERENCAPN1
SCHEMBL30819477 0.89 REN (0.44) SLC6A2MEN1KMT2AACEREN
SCHEMBL29925778 0.88 ACE (0.43) MEN1KMT2AOPRK1ACEREN
SCHEMBL31488462 0.88 CALCRL (0.47) SLC6A2RENCAPN1CALCRLCTSB
SCHEMBL30974108 0.88 SLC6A2 (0.51) SLC6A2RENCALCRL
SCHEMBL30661447 0.88 MC4R (0.45) MEN1KMT2AOPRK1ACEREN

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-116751249-A Anti-colitis and colon cancer walnut meal polypeptide and application thereof 云南农业大学 2023-09-15 — — CN disclosed
CN-116425831-A Walnut dreg anti-colon cancer peptide and application thereof 云南农业大学 2023-07-14 — — CN disclosed
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