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Sugi Predict / Compounds / SCHEMBL31276157

SCHEMBL31276157

SCHEMBL31276157

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.63
▸ MAPK8 P45983 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ MAPK10 P53779 1/20 0.62
▸ REN P00797 9/20 0.60
▸ NTSR1 P30989 7/20 0.59
▸ NTSR2 O95665 5/20 0.59
▸ SORT1 Q99523 5/20 0.59
▸ MAOB P27338 1/20 0.58
▸ KDM5A P29375 1/20 0.58
▸ KDM1B Q8NB78 1/20 0.58

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
SCHEMBL30581311 0.88 MAPK8 (0.68) KDM1AMAPK8MAPK9MAPK10REN
SCHEMBL30750439 0.88 KDM1A (0.65) KDM1AMAPK8MAPK9MAPK10REN
SCHEMBL30903282 0.88 KDM1A (0.69) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL29607530 0.86 MAPK8 (0.74) KDM1AMAPK8MAPK9MAPK10REN
SCHEMBL31738532 0.86 NTSR1 (0.76) NTSR1NTSR2SORT1
SCHEMBL29607801 0.85 MAPK8 (0.72) KDM1AMAPK8MAPK9MAPK10REN
SCHEMBL31324069 0.85 NTSR1 (0.65) NTSR1NTSR2SORT1
SCHEMBL31324070 0.85 NTSR1 (0.65) NTSR1NTSR2SORT1
SCHEMBL30953192 0.85 SLC6A2 (0.58) KDM1ANTSR1NTSR2SORT1
SCHEMBL30953197 0.85 SLC6A2 (0.58) KDM1ANTSR1NTSR2SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119320440-A Antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2025-01-17 — — CN claimed
CN-119320440-B Antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2026-03-17 — — CN disclosed
CN-119320440-A Antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2025-01-17 — — CN disclosed
CN-119320440-A Antibacterial peptide and application thereof 中国科学院大连化学物理研究所 2025-01-17 — — CN disclosed
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