SCHEMBL31031628

SCHEMBL31031628

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ KDM1A O60341 3/20 0.45
▸ MAOB P27338 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ EPHA2 P29317 1/20 0.41
▸ REN P00797 4/20 0.40
▸ RAMP3 O60896 5/20 0.39
▸ CALCR P30988 5/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NRP1 O14786 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
SCHEMBL30658576 0.95 KDM1A (0.51) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL3865485 0.92 MAPK8 (0.50) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL3215690 0.92 MAPK8 (0.51) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL29855959 0.90 KDM1A (0.47) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL31318939 0.89 MAPK8 (0.51) MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL31031472 0.89 MAPK8 (0.47) MAPK8MAPK9MAPK10KDM1AEPHA2
SCHEMBL7351817 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL7351804 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL31696335 0.89 KDM1A (0.54) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL7163251 0.87 MAPK8 (0.40) MAPK8MAPK9MAPK10KDM1AEPHA2

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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