SCHEMBL30974174

SCHEMBL30974174

N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.38
KEAP1 Q14145 1/20 0.38
NMT1 P30419 5/20 0.38
NMT2 O60551 4/20 0.38
PRCP P42785 1/20 0.37
FURIN P09958 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
MAOB P27338 1/20 0.36
KDM5A P29375 1/20 0.36
KDM1B Q8NB78 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL29531601 0.96 KEAP1 (0.41) KDM1AKEAP1NMT1NMT2FURIN
SCHEMBL29517268 0.96 NMT1 (0.45) KDM1ANMT1NMT2MAOBKDM5A
SCHEMBL29924267 0.94 PRCP (0.41) KEAP1PRCPFURINDPP7HDAC3
SCHEMBL29548137 0.94 PRCP (0.41) KEAP1PRCPFURINDPP7HDAC3
SCHEMBL30938813 0.92 GHSR (0.40) KDM1AKEAP1NMT1NMT2PRCP
SCHEMBL29630736 0.90 KEAP1 (0.39) KEAP1PRCPFURINDPP7HDAC3
SCHEMBL30973948 0.90 MEN1 (0.42) KDM1ANMT1NMT2PRCPDPP7
SCHEMBL29517196 0.90 MEN1 (0.40) KDM1ANMT1NMT2PRCPFURIN
SCHEMBL29442112 0.90 KDM1A (0.40) KDM1ANMT1NMT2PRCPDPP7
SCHEMBL29442100 0.89 PRCP (0.40) KDM1AKEAP1NMT1NMT2PRCP

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-2024132726-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 WO claimed