SCHEMBL30974366

SCHEMBL30974366

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.46
▸ KDM1A O60341 3/20 0.46
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ KDM5A P29375 1/20 0.42
▸ KDM1B Q8NB78 1/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ KRAS P01116 1/20 0.40
▸ BECN1 Q14457 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
SCHEMBL30844292 0.92 KDM1A (0.44) RENKDM1AMAPK8MAPK9MAPK10
SCHEMBL5402328 0.92 KDM1A (0.44) RENKDM1AMAPK8MAPK9MAPK10
SCHEMBL5402299 0.92 KDM1A (0.44) RENKDM1AMAPK8MAPK9MAPK10
SCHEMBL30185737 0.90 MAPK8 (0.46) RENMAPK8MAPK9MAPK10KEAP1
SCHEMBL30844263 0.87 KDM1A (0.45) RENKDM1AMAPK8MAPK9MAPK10
SCHEMBL29680012 0.87 MAPK8 (0.48) RENMAPK8MAPK9MAPK10KEAP1
SCHEMBL30008261 0.87 NMT1 (0.44) KDM1AMAOBKDM5AKDM1B
SCHEMBL31720924 0.87 PRCP (0.41) RENKDM1AMAPK8MAPK9MAPK10
SCHEMBL29531541 0.87 PRCP (0.41) RENKDM1AMAPK8MAPK9MAPK10
SCHEMBL30686009 0.86 MAPK8 (0.49) RENMAPK8MAPK9MAPK10KEAP1

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 disclosed
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