SCHEMBL30242269

SCHEMBL30242269

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ KEAP1 Q14145 2/20 0.50
▸ KDM1A O60341 3/20 0.45
▸ CALCRL Q16602 1/20 0.44
▸ MAOB P27338 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ RAMP3 O60896 12/20 0.40
▸ CALCR P30988 12/20 0.40
▸ F11 P03951 1/20 0.40

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
SCHEMBL8720811 0.90 MAPK8 (0.44) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL8720817 0.90 MAPK8 (0.44) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30171144 0.89 KDM1A (0.48) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30422922 0.89 MAPK8 (0.50) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30745230 0.88 MEN1 (0.41) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29395836 0.88 KDM1A (0.54) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL31573976 0.87 KDM1A (0.52) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30974427 0.87 KDM1A (0.43) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29687469 0.87 MAPK8 (0.48) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29437943 0.87 MAPK8 (0.43) MAPK8MAPK9MAPK10KEAP1

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-115697069-A Hypoallergenic recombinant milk proteins and compositions comprising the same 完美日股份有限公司 2023-02-03 — — CN disclosed
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