SCHEMBL31071032

SCHEMBL31071032

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.55
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ KEAP1 Q14145 1/20 0.47
▸ REN P00797 2/20 0.46
▸ CTSC P53634 1/20 0.43
▸ BACE1 P56817 2/20 0.42
▸ MME P08473 1/20 0.41
▸ IL23R Q5VWK5 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ CDYL2 Q8N8U2 1/20 0.41
▸ CDYL Q9Y232 1/20 0.41

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
SCHEMBL29506880 0.95 CALCRL (0.52) CALCRLMAPK8MAPK9MAPK10KEAP1
SCHEMBL31122250 0.91 CALCRL (0.53) CALCRLMAPK8MAPK9MAPK10KEAP1
SCHEMBL29634931 0.90 CALCRL (0.53) CALCRLMAPK8MAPK9MAPK10KEAP1
SCHEMBL31122251 0.89 CALCRL (0.52) CALCRLMAPK8MAPK9MAPK10KEAP1
SCHEMBL29634944 0.86 CALCRL (0.54) CALCRLMAPK8MAPK9MAPK10REN
SCHEMBL29600734 0.85 CALCRL (0.51) CALCRLMAPK8MAPK9MAPK10KEAP1
SCHEMBL29634976 0.85 MAPK8 (0.54) CALCRLMAPK8MAPK9MAPK10REN
SCHEMBL30150553 0.84 REN (0.52) CALCRLKEAP1RENBACE1
SCHEMBL29430213 0.83 CALCRL (0.55) CALCRLMAPK8MAPK9MAPK10KEAP1
SCHEMBL29662137 0.82 CTSC (0.51) CALCRLRENCTSCGHSR

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-118754937-A Cyclic polypeptide compound and application thereof 晶核生物医药科技(南京)有限公司 2024-10-11 — — CN disclosed
WO-2024198836-A1 CYCLIC POLYPEPTIDE COMPOUNDS AND USE THEREOF 晶核生物医药科技(南京)有限公司 2024-10-03 — — WO disclosed
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