SCHEMBL31049836

SCHEMBL31049836

CCCCCC[C@](N)(CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)CNC(C)=O)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ NMUR2 Q9GZQ4 3/20 0.41
▸ NMUR1 Q9HB89 3/20 0.41
▸ CALCRL Q16602 4/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ KISS1R Q969F8 2/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ AKT1 P31749 2/20 0.39

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
SCHEMBL30856561 0.93 MAPK8 (0.46) IL23RMAPK8MAPK9MAPK10NMUR2
SCHEMBL31049833 0.91 SLC6A2 (0.45) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31049840 0.89 MAPK8 (0.47) IL23RMAPK8MAPK9MAPK10NMUR2
SCHEMBL31049846 0.86 GRB2 (0.39) IL23RMAPK8MAPK9MAPK10NMUR2
SCHEMBL31049847 0.85 MAPK8 (0.41) IL23RMAPK8MAPK9MAPK10NMUR2
SCHEMBL31049830 0.83 NMUR2 (0.39) IL23RMAPK8MAPK9MAPK10NMUR2
SCHEMBL31049839 0.82 MAPK8 (0.38) IL23RMAPK8MAPK9MAPK10NMUR2
SCHEMBL31490504 0.82 MAPK8 (0.52) IL23RMAPK8MAPK9MAPK10NMUR2
SCHEMBL29506914 0.82 MAPK8 (0.51) IL23RMAPK8MAPK9MAPK10NMUR2
SCHEMBL31490515 0.82 MAPK8 (0.54) IL23RMAPK8MAPK9MAPK10NMUR2

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-2024165072-A1 POLYPEPTIDE COMPOUND AND USE THEREOF 成都纽瑞特医疗科技股份有限公司 2024-08-15 — — WO disclosed
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