SCHEMBL30596290

SCHEMBL30596290

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.51
▸ REN P00797 4/20 0.45
▸ ACE P12821 2/20 0.45
▸ CTSD P07339 3/20 0.43
▸ CTSE P14091 2/20 0.43
▸ BACE1 P56817 4/20 0.42
▸ OPRK1 P41145 1/20 0.41
▸ CAPN1 P07384 2/20 0.40
▸ RAMP1 O60894 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
SCHEMBL31318916 0.91 CALCRL (0.51) CALCRLRENACECTSDCTSE
SCHEMBL30596283 0.91 CALCRL (0.45) CALCRLRENACE
SCHEMBL31040327 0.90 CALCRL (0.50) CALCRLRENACECTSDCTSE
SCHEMBL16468657 0.89 ACE (0.50) CALCRLRENACE
SCHEMBL30658578 0.87 CALCRL (0.49) CALCRLRENACECTSDCTSE
SCHEMBL30988889 0.87 CALCRL (0.49) CALCRLRENCTSDCTSEBACE1
SCHEMBL30658574 0.87 CALCRL (0.52) CALCRLCTSDBACE1
SCHEMBL2193386 0.87 ACE (0.59) RENACE
SCHEMBL30661442 0.86 MEN1 (0.45) RENACECAPN1
SCHEMBL30401176 0.85 SLC6A2 (0.49) CALCRLRENCAPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836223-B Prinsepia utilis royle active peptide composition and new application thereof 昆明理工大学 2024-10-25 — — CN claimed
CN-116836223-B Prinsepia utilis royle active peptide composition and new application thereof 昆明理工大学 2024-10-25 — — CN disclosed
CN-116836223-A Prinsepia utilis royle active peptide composition and new application thereof 昆明理工大学 2023-10-03 — — CN disclosed
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