SCHEMBL31031582

SCHEMBL31031582

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ CALCRL Q16602 5/20 0.45
▸ CAPN1 P07384 4/20 0.44
▸ CTSB P07858 1/20 0.44
▸ ELANE P08246 4/20 0.43
▸ MLX Q9UH92 1/20 0.41
▸ STAT3 P40763 1/20 0.40

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
SCHEMBL30341673 0.91 CALCRL (0.47) XIAPSLC6A2CALCRLELANEMLX
SCHEMBL29733288 0.90 CALCRL (0.51) XIAPSLC6A2CALCRLSTAT3
SCHEMBL23135342 0.89 XIAP (0.53) XIAPSLC6A2CALCRLELANE
SCHEMBL23135343 0.89 XIAP (0.53) XIAPSLC6A2CALCRLELANE
SCHEMBL30123263 0.88 SLC6A2 (0.52) XIAPSLC6A2CALCRLCAPN1CTSB
SCHEMBL29630819 0.87 XIAP (0.47) XIAPSLC6A2CALCRLCAPN1CTSB
SCHEMBL29641778 0.84 XIAP (0.47) XIAPSLC6A2CALCRLELANESTAT3
SCHEMBL21312919 0.82 XIAP (0.47) XIAPSLC6A2ELANESTAT3
SCHEMBL30753842 0.82 SLC6A2 (0.53) XIAPSLC6A2CALCRLCAPN1CTSB
SCHEMBL29641668 0.81 XIAP (0.58) XIAPELANE

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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