SCHEMBL30974008

SCHEMBL30974008

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.54
▸ REN P00797 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PEPD P12955 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ CALCRL Q16602 2/20 0.40
▸ CAPN1 P07384 2/20 0.39
▸ XIAP P98170 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
SCHEMBL30069169 0.93 ACE (0.62) ACERENKDM4EF2LMNA
SCHEMBL30193349 0.84 ACE (0.64) ACERENKDM4EF2LMNA
SCHEMBL14199456 0.84 CAPN1 (0.47) ACERENCALCRLCAPN1SLC6A2
SCHEMBL9614758 0.84 CAPN1 (0.57) ACERENCALCRLCAPN1SLC6A2
SCHEMBL9614754 0.84 CAPN1 (0.57) ACERENCALCRLCAPN1SLC6A2
SCHEMBL29576508 0.84 CAPN1 (0.47) ACERENCALCRLCAPN1XIAP
SCHEMBL29530605 0.82 XIAP (0.49) ACERENCALCRLCAPN1XIAP
SCHEMBL30997407 0.82 CAPN1 (0.53) ACERENKDM4EF2LMNA
SCHEMBL31412187 0.82 ACE (0.59) ACERENKDM4EF2LMNA
SCHEMBL30957276 0.81 ACE (0.60) ACERENKDM4EF2LMNA

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
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