SCHEMBL31307690

SCHEMBL31307690

CCCCCCCCC(=O)N[C@@H](CCCN)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.54
NMT1 P30419 6/20 0.53
NMT2 O60551 5/20 0.53
TLR2 O60603 2/20 0.52
NOD1 Q9Y239 6/20 0.51
CTSL P07711 1/20 0.49
FAAH O00519 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL31307622 1.00 SLC6A5 (0.54) SLC6A5NMT1NMT2TLR2NOD1
SCHEMBL31307638 1.00 SLC6A5 (0.54) SLC6A5NMT1NMT2TLR2NOD1
SCHEMBL1673186 0.97 SLC6A5 (0.58) SLC6A5NMT1NMT2TLR2NOD1
SCHEMBL30905802 0.97 SLC6A5 (0.58) SLC6A5NMT1NMT2TLR2NOD1
SCHEMBL1280087 0.97 SLC6A5 (0.58) SLC6A5NMT1NMT2TLR2NOD1
SCHEMBL1673194 0.97 SLC6A5 (0.58) SLC6A5NMT1NMT2TLR2NOD1
SCHEMBL352420 0.97 SLC6A5 (0.58) SLC6A5NMT1NMT2TLR2NOD1
SCHEMBL30399641 0.97 SLC6A5 (0.58) SLC6A5NMT1NMT2TLR2NOD1
Acetic Acid SCHEMBL29600169 0.95 SLC6A5 (0.56) SLC6A5NMT1NMT2TLR2NOD1
SCHEMBL30439492 0.95 NMT2 (0.49) SLC6A5NMT1NMT2TLR2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4725957-A1 GROUP OF CYCLIC ALKALINE LIPOPEPTIDE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2026-04-15 EP claimed
WO-2024250929-A1 GROUP OF CYCLIC ALKALINE LIPOPEPTIDE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国医学科学院医药生物技术研究所 2024-12-12 WO claimed
EP-4725957-A1 GROUP OF CYCLIC ALKALINE LIPOPEPTIDE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2026-04-15 EP disclosed
WO-2024250929-A1 GROUP OF CYCLIC ALKALINE LIPOPEPTIDE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国医学科学院医药生物技术研究所 2024-12-12 WO disclosed
CN-119101129-A Cyclic alkaline lipopeptide compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-12-10 CN disclosed