SCHEMBL30785408

SCHEMBL30785408

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.59
▸ SLC6A2 P23975 1/20 0.54
▸ ACE2 Q9BYF1 4/20 0.52

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
SCHEMBL30128526 0.90 ACE (0.55) ACESLC6A2
SCHEMBL30165330 0.88 ACE (0.57) ACEACE2
SCHEMBL29630415 0.87 OPRM1 (0.52) ACESLC6A2
SCHEMBL30358542 0.86 ACE (0.58) ACEACE2
SCHEMBL29630448 0.86 NMUR2 (0.51) ACESLC6A2
SCHEMBL33721990 0.85 ACE (0.64) ACESLC6A2ACE2
SCHEMBL29630391 0.85 ACE (0.55) ACEACE2
SCHEMBL11060360 0.84 LTA4H (0.61) ACEACE2
SCHEMBL7272049 0.82 ACE (0.74) ACEACE2
SCHEMBL9098688 0.82 ACE (0.74) ACEACE2

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-117567557-A Preparation of integrated cyclic lipopeptides and anti-tumor effect 滨州医学院 2024-02-20 — — CN claimed
CN-117567557-A Preparation of integrated cyclic lipopeptides and anti-tumor effect 滨州医学院 2024-02-20 — — CN disclosed
CN-117567557-A Preparation of integrated cyclic lipopeptides and anti-tumor effect 滨州医学院 2024-02-20 — — CN disclosed
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