SCHEMBL25027372

SCHEMBL25027372

CCSSCC(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)N)C(C)CC)C(=O)NC(C(=O)NC(C(=O)NC(CC(N)=O)C(=O)O)C(C)O)C(C)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ NMUR2 Q9GZQ4 5/20 0.54
▸ NMUR1 Q9HB89 5/20 0.54
▸ KEAP1 Q14145 2/20 0.50
▸ CALCR P30988 3/20 0.49
▸ OPRD1 P41143 2/20 0.49
▸ NTSR1 P30989 2/20 0.49
▸ NTSR2 O95665 1/20 0.48
▸ GLP1R P43220 1/20 0.48

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
SCHEMBL25028436 0.97 MAPK8 (0.54) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL30248619 0.96 MAPK8 (0.59) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25028494 0.96 MAPK8 (0.52) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25027369 0.95 NMUR2 (0.56) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25027370 0.95 MAPK8 (0.55) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25027389 0.94 MAPK8 (0.54) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL30248579 0.94 MAPK8 (0.63) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31014197 0.93 MAPK8 (0.56) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25027403 0.92 MAPK8 (0.53) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25028618 0.92 KEAP1 (0.54) MAPK8MAPK9MAPK10NMUR2NMUR1

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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