SCHEMBL30834018

SCHEMBL30834018

NCCCC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ GSTK1 Q9Y2Q3 1/20 0.48
▸ NMT1 P30419 11/20 0.45
▸ NMT2 O60551 10/20 0.45
▸ TERT O14746 1/20 0.43
▸ TLR2 O60603 2/20 0.38
▸ GSR P00390 1/20 0.38

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
SCHEMBL30834012 0.98 NMT1 (0.48) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL30519045 0.96 NMT1 (0.47) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL29816775 0.93 NMT1 (0.47) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL31279969 0.93 NMT1 (0.47) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL30887360 0.89 NMT1 (0.45) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL30887359 0.89 NMT1 (0.45) PTGS1GSTK1NMT1NMT2TERT
SCHEMBL30788344 0.89 PTGS1 (0.50) PTGS1GSTK1NMT1NMT2TLR2
SCHEMBL30513899 0.89 PTGS1 (0.52) PTGS1GSTK1NMT1NMT2TLR2
SCHEMBL29721007 0.88 NMT1 (0.43) PTGS1GSTK1NMT1NMT2TLR2
SCHEMBL30665214 0.87 NMT1 (0.49) NMT1NMT2TERTTLR2GSR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118033151-B Homogeneous chemiluminescent procalcitonin detection reagent constructed by cyclopeptide luminescent coupling molecules 江西省转化医学研究院 2024-06-18 — — CN claimed
CN-118033151-A Homogeneous chemiluminescent procalcitonin detection reagent constructed by cyclopeptide luminescent coupling molecules 江西省转化医学研究院 2024-05-14 — — CN claimed
CN-117986328-B Cyclic peptide luminescent coupling molecule and preparation method and application thereof 江西省转化医学研究院 2024-07-09 — — CN disclosed
CN-118033151-B Homogeneous chemiluminescent procalcitonin detection reagent constructed by cyclopeptide luminescent coupling molecules 江西省转化医学研究院 2024-06-18 — — CN disclosed
CN-118033151-A Homogeneous chemiluminescent procalcitonin detection reagent constructed by cyclopeptide luminescent coupling molecules 江西省转化医学研究院 2024-05-14 — — CN disclosed
CN-117986328-A Cyclic peptide luminescent coupling molecule and preparation method and application thereof 江西省转化医学研究院 2024-05-07 — — CN disclosed
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