SCHEMBL30974105

SCHEMBL30974105

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)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 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.46
▸ XIAP P98170 1/20 0.46
▸ RAMP1 O60894 1/20 0.43
▸ NTSR2 O95665 10/20 0.42
▸ NTSR1 P30989 10/20 0.42
▸ SORT1 Q99523 10/20 0.42
▸ NAA50 Q9GZZ1 1/20 0.41
▸ APLNR P35414 1/20 0.41
▸ REN P00797 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CAPN1 P07384 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
SCHEMBL30974508 0.92 CALCRL (0.46) CALCRLXIAPRAMP1NAA50APLNR
SCHEMBL31001017 0.85 CALCRL (0.47) CALCRLXIAPRAMP1NTSR2NTSR1
SCHEMBL30403555 0.85 CALCRL (0.49) CALCRLXIAPRAMP1NTSR2NTSR1
SCHEMBL29641668 0.84 XIAP (0.58) XIAPREN
SCHEMBL30311236 0.83 XIAP (0.48) XIAPNTSR2NTSR1SORT1REN
SCHEMBL30974436 0.83 CALCRL (0.52) CALCRLNTSR2NTSR1
SCHEMBL30400308 0.81 NTSR1 (0.53) NTSR2NTSR1SORT1
SCHEMBL30132455 0.81 KEAP1 (0.47) CALCRLXIAPNTSR2NTSR1SORT1
SCHEMBL31026621 0.81 CAPN1 (0.52) XIAPNTSR2NTSR1SORT1CAPN1
Acetic Acid SCHEMBL30311279 0.81 ELANE (0.47) XIAPNTSR2NTSR1SORT1REN

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 2 patents. 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
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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