SCHEMBL30586591

SCHEMBL30586591

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.58
▸ OPRD1 P41143 5/20 0.57
▸ NTSR1 P30989 3/20 0.57
▸ REN P00797 3/20 0.55
▸ KEAP1 Q14145 1/20 0.55

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
SCHEMBL30586584 0.92 OPRD1 (0.59) OPRD1NTSR1REN
SCHEMBL30692668 0.91 CALCR (0.62) CALCRKEAP1
SCHEMBL30586607 0.90 OPRD1 (0.54) CALCROPRD1
SCHEMBL30607467 0.88 CALCR (0.64) CALCR
SCHEMBL31670645 0.88 CALCR (0.54) CALCROPRD1NTSR1REN
SCHEMBL29379907 0.87 CALCR (0.65) CALCROPRD1NTSR1KEAP1
SCHEMBL30495645 0.87 CALCR (0.68) CALCROPRD1NTSR1
SCHEMBL30658236 0.87 CALCR (0.70) CALCROPRD1
SCHEMBL29679653 0.87 OPRD1 (0.56) OPRD1NTSR1
SCHEMBL30903286 0.87 KEAP1 (0.60) CALCROPRD1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444649-B Milk active peptide GITDPLFKGM, GITDPLFKG and its obtaining method and use 内蒙古伊利实业集团股份有限公司 2024-05-24 — — CN disclosed
CN-116444649-A Milk active peptide GITDPLFKGM, GITDPLFKG and its obtaining method and use 内蒙古伊利实业集团股份有限公司 2023-07-18 — — CN disclosed
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