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Sugi Predict / Compounds / SCHEMBL25028141

SCHEMBL25028141

SCHEMBL25028141

C=CCSCC(NC(=O)C(NC(=O)CNC(=O)C(CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(C)NC)C(C)CC)C(=O)NC(C(=O)NC(C(=O)NC(CC(N)=O)C(N)=O)C(C)O)C(C)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ KEAP1 Q14145 2/20 0.49
▸ NMUR2 Q9GZQ4 2/20 0.47
▸ NMUR1 Q9HB89 2/20 0.47
▸ GLP1R P43220 2/20 0.47
▸ OPRM1 P35372 6/20 0.47
▸ OPRK1 P41145 6/20 0.47
▸ CALCR P30988 3/20 0.46

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
SCHEMBL25028417 0.97 MAPK8 (0.54) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL25028140 0.96 MAPK8 (0.52) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL25027391 0.96 MAPK8 (0.52) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL25027389 0.93 MAPK8 (0.54) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL25027402 0.93 MAPK8 (0.53) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL25028615 0.92 MAPK8 (0.56) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL31014198 0.90 MAPK8 (0.56) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL31014197 0.90 MAPK8 (0.56) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL25027403 0.90 MAPK8 (0.53) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL25028436 0.90 MAPK8 (0.54) MAPK8MAPK9MAPK10KEAP1NMUR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023015533-A1 SYNTHETIC PEPTIDE, AND COSMETIC COMPOSITION OR PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 深圳市维琪医药研发有限公司 2023-02-16 — — WO disclosed
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