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SCHEMBL25027402

SCHEMBL25027402

CCCCCCSSCC(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 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ NMUR2 Q9GZQ4 5/20 0.51
▸ NMUR1 Q9HB89 5/20 0.51
▸ KEAP1 Q14145 2/20 0.49
▸ GLP1R P43220 2/20 0.48
▸ TFPI P10646 1/20 0.47
▸ CALCR P30988 3/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ APLNR P35414 1/20 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
SCHEMBL25028399 0.96 MAPK8 (0.53) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25027369 0.93 NMUR2 (0.56) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25028141 0.93 MAPK8 (0.52) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25028615 0.92 MAPK8 (0.56) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25027403 0.91 MAPK8 (0.53) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25028436 0.91 MAPK8 (0.54) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31014198 0.90 MAPK8 (0.56) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31014197 0.90 MAPK8 (0.56) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25028417 0.90 MAPK8 (0.54) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL25028492 0.89 MAPK8 (0.53) MAPK8MAPK9MAPK10KEAP1GLP1R

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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