SCHEMBL30311985

SCHEMBL30311985

CC(C)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.49
▸ CMA1 P23946 1/20 0.49
▸ CALCRL Q16602 4/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ OPRD1 P41143 2/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ REN P00797 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
SCHEMBL30311937 0.91 CMA1 (0.51) CMA1SLC6A2OPRD1REN
SCHEMBL29567365 0.86 NTSR1 (0.40) KEAP1OPRD1NTSR1
SCHEMBL29567235 0.86 NTSR1 (0.40) KEAP1OPRD1NTSR1
SCHEMBL29566935 0.85 OPRD1 (0.41) KEAP1CALCRLOPRD1NTSR1
SCHEMBL29567257 0.85 XIAP (0.44) CMA1
SCHEMBL5026890 0.84 ACE (0.54) CMA1OPRD1
SCHEMBL30620966 0.84 XIAP (0.45) CMA1CALCRLOPRD1
SCHEMBL5026882 0.84 ACE (0.54) CMA1OPRD1
SCHEMBL29567586 0.84 XIAP (0.42) CMA1CALCRLOPRD1NTSR1
SCHEMBL29411300 0.84 ELANE (0.46) CMA1CALCRL

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
CN-115850381-A Synthetic polypeptide and application thereof in promoting skin healing 中国科学院兰州化学物理研究所 2023-03-28 — — CN disclosed
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