SCHEMBL31031623

SCHEMBL31031623

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.43
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ REN P00797 9/20 0.41
▸ XIAP P98170 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM1B Q8NB78 1/20 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
SCHEMBL30844257 0.90 PRMT5 (0.42) KDM1AMAPK8MAPK9MAPK10REN
SCHEMBL30844368 0.89 PRMT5 (0.44) KDM1AMAPK8MAPK9MAPK10REN
SCHEMBL30844373 0.87 XIAP (0.44) RENXIAP
SCHEMBL30311197 0.87 MAPK8 (0.43) KDM1AMAPK8MAPK9MAPK10REN
SCHEMBL30311186 0.86 MAPK8 (0.42) KDM1AMAPK8MAPK9MAPK10REN
SCHEMBL31031531 0.85 CALCRL (0.45) XIAP
SCHEMBL30051206 0.84 ACE (0.51) KDM1AREN
Acetic Acid SCHEMBL30311509 0.84 MAPK8 (0.41) MAPK8MAPK9MAPK10RENXIAP
SCHEMBL30844243 0.84 ELANE (0.49) XIAP
SCHEMBL30495789 0.84 KDM1A (0.46) KDM1AMAPK8MAPK9MAPK10REN

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-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
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