SCHEMBL29630744

SCHEMBL29630744

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ KEAP1 Q14145 1/20 0.42
▸ CALCRL Q16602 1/20 0.40
▸ KDM1A O60341 3/20 0.39
▸ F11 P03951 1/20 0.39
▸ PRCP P42785 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM1B Q8NB78 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KISS1R Q969F8 1/20 0.34
▸ NPY4R P50391 1/20 0.34
▸ REN P00797 1/20 0.34
▸ NMUR2 Q9GZQ4 1/20 0.34
▸ NMUR1 Q9HB89 1/20 0.34

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
SCHEMBL29590531 0.92 MAPK8 (0.48) MAPK8MAPK9MAPK10KEAP1CALCRL
SCHEMBL30686002 0.87 MAPK8 (0.42) MAPK8MAPK9MAPK10KEAP1CALCRL
SCHEMBL30712166 0.87 MAPK8 (0.43) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29886731 0.86 MAPK8 (0.41) MAPK8MAPK9MAPK10KEAP1CALCRL
SCHEMBL30686003 0.85 MAPK8 (0.48) MAPK8MAPK9MAPK10KEAP1CALCRL
SCHEMBL30686004 0.85 MAPK8 (0.48) MAPK8MAPK9MAPK10KEAP1CALCRL
SCHEMBL30564979 0.85 MEN1 (0.39) MAPK8MAPK9MAPK10KEAP1CALCRL
SCHEMBL29496543 0.85 MEN1 (0.44) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30658561 0.85 MAPK8 (0.43) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL32690588 0.84 MAPK8 (0.51) MAPK8MAPK9MAPK10KEAP1CALCRL

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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