SCHEMBL30834012

SCHEMBL30834012

NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)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 6)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 12/20 0.48
▸ NMT2 O60551 11/20 0.48
▸ PTGS1 P23219 1/20 0.46
▸ GSTK1 Q9Y2Q3 1/20 0.46
▸ TERT O14746 1/20 0.41
▸ TLR2 O60603 2/20 0.41

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
SCHEMBL30519045 0.98 NMT1 (0.47) NMT1NMT2PTGS1GSTK1TERT
SCHEMBL30834018 0.98 PTGS1 (0.48) NMT1NMT2PTGS1GSTK1TERT
SCHEMBL29816775 0.91 NMT1 (0.47) NMT1NMT2PTGS1GSTK1TERT
SCHEMBL31279969 0.91 NMT1 (0.47) NMT1NMT2PTGS1GSTK1TERT
SCHEMBL29721007 0.91 NMT1 (0.43) NMT1NMT2PTGS1GSTK1TLR2
SCHEMBL30665214 0.90 NMT1 (0.49) NMT1NMT2TERTTLR2
SCHEMBL30788344 0.89 PTGS1 (0.50) NMT1NMT2PTGS1GSTK1TLR2
SCHEMBL18234267 0.88 NMT1 (0.53) NMT1NMT2PTGS1GSTK1TERT
SCHEMBL29678508 0.88 NMT1 (0.49) NMT1NMT2TERTTLR2
SCHEMBL29569049 0.88 FOLH1 (0.46) NMT1NMT2TERT

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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