SCHEMBL30974508

SCHEMBL30974508

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.46
▸ CTSD P07339 3/20 0.43
▸ BACE1 P56817 3/20 0.43
▸ APLNR P35414 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ RAMP1 O60894 1/20 0.42
▸ NAA50 Q9GZZ1 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ NMUR2 Q9GZQ4 1/20 0.40
▸ NMUR1 Q9HB89 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ STAT3 P40763 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
SCHEMBL30974105 0.92 CALCRL (0.46) CALCRLCTSDBACE1APLNRRAMP1
SCHEMBL30974436 0.89 CALCRL (0.52) CALCRLNMUR2NMUR1
SCHEMBL30608602 0.85 NAA50 (0.48) CALCRLAPLNRKEAP1NAA50NMUR2
SCHEMBL30608623 0.84 CAPN1 (0.47) CALCRLCTSDBACE1APLNRRAMP1
SCHEMBL30608585 0.84 CAPN1 (0.47) CALCRLCTSDBACE1APLNRRAMP1
SCHEMBL29479863 0.84 NPY2R (0.52) KDM1AMAOBKDM5AKDM1B
SCHEMBL31001017 0.84 CALCRL (0.47) CALCRLAPLNRKEAP1RAMP1NAA50
SCHEMBL30403555 0.83 CALCRL (0.49) CALCRLKEAP1RAMP1XIAP
SCHEMBL8936972 0.83 STAT3 (0.47) CALCRLCTSDBACE1KEAP1NMUR2
SCHEMBL30978825 0.83 BACE1 (0.50) CTSDBACE1KEAP1NMUR2NMUR1

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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