Sugi Predict

Sugi Predict / Compounds / SCHEMBL30763707

SCHEMBL30763707

SCHEMBL30763707

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 13/20 0.47
▸ ACE P12821 2/20 0.44
▸ REN P00797 1/20 0.44
▸ NAA50 Q9GZZ1 1/20 0.42
▸ RAMP3 O60896 3/20 0.42
▸ CALCR P30988 3/20 0.42

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
SCHEMBL30629285 0.91 KEAP1 (0.50) KEAP1ACERENNAA50
SCHEMBL30629284 0.90 KEAP1 (0.51) KEAP1ACERENNAA50
SCHEMBL30763704 0.89 KEAP1 (0.56) KEAP1ACERENRAMP3CALCR
SCHEMBL30800558 0.88 ACE (0.54) KEAP1ACEREN
SCHEMBL30434874 0.81 ACE (0.54) ACEREN
SCHEMBL30434139 0.81 ACE (0.54) ACEREN
SCHEMBL29520988 0.81 ACE (0.47) KEAP1ACERENRAMP3CALCR
SCHEMBL14567377 0.81 ACE (0.58) ACEREN
SCHEMBL5491754 0.81 ACE (0.58) ACEREN
SCHEMBL30678853 0.80 REN (0.44) ACEREN

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-117126242-A Heptapeptides, compositions and uses thereof 深圳市维琪科技股份有限公司 2023-11-28 — — CN claimed
CN-117126242-B Heptapeptides, compositions and uses thereof 深圳市维琪科技股份有限公司 2024-02-13 — — CN disclosed
CN-117126242-A Heptapeptides, compositions and uses thereof 深圳市维琪科技股份有限公司 2023-11-28 — — CN disclosed
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