SCHEMBL31031577

SCHEMBL31031577

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.45
▸ CXCR4 P61073 5/20 0.44
▸ MAOB P27338 1/20 0.43
▸ KDM5A P29375 1/20 0.43
▸ KDM1B Q8NB78 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ APLNR P35414 2/20 0.40
▸ TFPI P10646 3/20 0.40
▸ EPHA2 P29317 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ ACE P12821 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
SCHEMBL31031479 0.92 MAPK8 (0.47) KDM1ACXCR4MAOBKDM5AKDM1B
SCHEMBL30099509 0.87 MAPK8 (0.46) KDM1AMAOBKDM5AKDM1BKEAP1
SCHEMBL31165809 0.86 MAPK8 (0.45) KDM1AMAOBKDM5AKDM1BKEAP1
SCHEMBL31031580 0.85 CXCR4 (0.47) CXCR4APLNRTFPIEPHA2
SCHEMBL29837381 0.84 MAPK8 (0.43) KDM1AMAOBKDM5AKDM1BKEAP1
SCHEMBL29579268 0.83 CXCR4 (0.48) CXCR4APLNR
SCHEMBL31031494 0.83 CXCR4 (0.49) CXCR4APLNRTFPIEPHA2
SCHEMBL31437174 0.83 MAPK8 (0.40) KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL28356821 0.83 CXCR4 (0.47) CXCR4APLNR
SCHEMBL30275450 0.83 CXCR4 (0.46) CXCR4KEAP1APLNR

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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