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Sugi Predict / Compounds / SCHEMBL30628515

SCHEMBL30628515

SCHEMBL30628515

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.60
▸ MAPK9 P45984 1/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ EPHA2 P29317 2/20 0.58
▸ APLNR P35414 1/20 0.56
▸ NMUR2 Q9GZQ4 4/20 0.55
▸ NMUR1 Q9HB89 4/20 0.55
▸ OPRM1 P35372 6/20 0.54
▸ OPRK1 P41145 6/20 0.54
▸ RAMP3 O60896 1/20 0.52
▸ CALCR P30988 1/20 0.52
▸ TFPI P10646 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52

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
SCHEMBL30544090 0.91 OPRM1 (0.57) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL29810116 0.90 MAPK8 (0.65) MAPK8MAPK9MAPK10CALCRTFPI
SCHEMBL31182656 0.89 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2APLNR
SCHEMBL30924747 0.88 MAPK8 (0.61) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL30262172 0.88 EPHA2 (0.59) MAPK8MAPK9MAPK10EPHA2RAMP3
SCHEMBL30498507 0.87 EPHA2 (0.60) MAPK8MAPK9MAPK10EPHA2APLNR
SCHEMBL31452903 0.86 EPHA2 (0.62) EPHA2NMUR2NMUR1OPRM1OPRK1
SCHEMBL29410236 0.86 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL29973451 0.86 NMUR2 (0.60) NMUR2NMUR1OPRM1OPRK1
SCHEMBL29395807 0.86 KDM1A (0.64) EPHA2NMUR2NMUR1RAMP3CALCR

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
CN-117003824-B Antibacterial medicine and antibacterial peptide MRSA12 thereof 中国人民解放军军事科学院军事医学研究院 2024-12-13 — — CN disclosed
CN-117003824-A Antibacterial medicine and antibacterial peptide MRSA12 thereof 中国人民解放军军事科学院军事医学研究院 2023-11-07 — — CN disclosed
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