SCHEMBL25028618

SCHEMBL25028618

CCC(C)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(=O)NC(CSCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(CC(N)=O)C(N)=O)C(C)O)C(C)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.54
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ NMUR2 Q9GZQ4 1/20 0.49
▸ NMUR1 Q9HB89 1/20 0.49
▸ GLP1R P43220 2/20 0.49
▸ CALCR P30988 4/20 0.49
▸ OPRD1 P41143 2/20 0.49
▸ TFPI P10646 1/20 0.48
▸ RAMP3 O60896 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
SCHEMBL25027370 0.97 MAPK8 (0.55) KEAP1MAPK8MAPK9MAPK10NMUR2
SCHEMBL31014197 0.96 MAPK8 (0.56) KEAP1MAPK8MAPK9MAPK10NMUR2
SCHEMBL25028492 0.95 MAPK8 (0.53) KEAP1MAPK8MAPK9MAPK10GLP1R
SCHEMBL25028436 0.95 MAPK8 (0.54) KEAP1MAPK8MAPK9MAPK10NMUR2
SCHEMBL25028160 0.94 MAPK8 (0.52) KEAP1MAPK8MAPK9MAPK10NMUR2
SCHEMBL25027391 0.94 MAPK8 (0.52) KEAP1MAPK8MAPK9MAPK10NMUR2
SCHEMBL31014196 0.94 MAPK8 (0.60) KEAP1MAPK8MAPK9MAPK10NMUR2
SCHEMBL30248619 0.93 MAPK8 (0.59) KEAP1MAPK8MAPK9MAPK10NMUR2
SCHEMBL25027372 0.92 MAPK8 (0.56) KEAP1MAPK8MAPK9MAPK10NMUR2
SCHEMBL25027374 0.91 MAPK8 (0.54) KEAP1MAPK8MAPK9MAPK10NMUR2

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
Send feedback