SCHEMBL30872251

SCHEMBL30872251

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ CALCRL Q16602 6/20 0.56
▸ REN P00797 6/20 0.52
▸ RAMP1 O60894 1/20 0.52
▸ SLC6A2 P23975 1/20 0.51
▸ EPHA2 P29317 1/20 0.49

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
SCHEMBL30567723 0.86 KDM1A (0.58) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL29591787 0.84 SLC6A2 (0.55) CALCRLRENSLC6A2EPHA2
SCHEMBL29479825 0.84 MAPK8 (0.59) MAPK8MAPK9MAPK10CALCRL
SCHEMBL30304751 0.84 SLC6A2 (0.61) CALCRLRENSLC6A2EPHA2
SCHEMBL29591922 0.84 SLC6A2 (0.53) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL29590343 0.83 SLC6A2 (0.57) RENSLC6A2
SCHEMBL30504384 0.82 CTSC (0.49) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL38662816 0.81 MAPK8 (0.56) MAPK8MAPK9MAPK10CALCRLREN
SCHEMBL29590474 0.81 SLC6A2 (0.54) CALCRLRENSLC6A2EPHA2
SCHEMBL29592549 0.81 SLC6A2 (0.53) MAPK8MAPK9MAPK10RENSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986325-A Polypeptide monomer molecule MBP, polypeptide co-assembled nanoparticle and application thereof 中国人民解放军军事科学院军事医学研究院 2024-05-07 — — CN claimed
CN-117986325-B Polypeptide monomer molecule MBP, polypeptide co-assembled nanoparticle and application thereof 中国人民解放军军事科学院军事医学研究院 2024-12-13 — — CN disclosed
CN-117986325-A Polypeptide monomer molecule MBP, polypeptide co-assembled nanoparticle and application thereof 中国人民解放军军事科学院军事医学研究院 2024-05-07 — — CN disclosed
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