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Sugi Predict / Compounds / SCHEMBL30242111

SCHEMBL30242111

SCHEMBL30242111

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)CC)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 14/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ PTH1R Q03431 2/20 0.55
▸ PCSK9 Q8NBP7 2/20 0.54
▸ NPBWR1 P48145 1/20 0.54

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
SCHEMBL30262147 0.94 IL23R (0.68) IL23RNPBWR1
SCHEMBL30093113 0.92 PCSK9 (0.61) IL23RRXFP1PTH1RPCSK9NPBWR1
SCHEMBL30093105 0.92 PCSK9 (0.61) IL23RRXFP1PTH1RPCSK9NPBWR1
SCHEMBL30874386 0.92 RXFP1 (0.58) IL23RRXFP1PCSK9NPBWR1
SCHEMBL30598172 0.91 RXFP1 (0.63) IL23RRXFP1PTH1RPCSK9NPBWR1
SCHEMBL30093054 0.90 PCSK9 (0.60) IL23RRXFP1PTH1RPCSK9NPBWR1
SCHEMBL30093120 0.90 PCSK9 (0.60) IL23RRXFP1PTH1RPCSK9NPBWR1
SCHEMBL31453816 0.90 RXFP1 (0.65) IL23RRXFP1PTH1RNPBWR1
SCHEMBL30130553 0.90 RXFP1 (0.62) IL23RRXFP1PTH1RPCSK9NPBWR1
SCHEMBL31590962 0.89 RXFP1 (0.61) IL23RRXFP1PTH1RPCSK9NPBWR1

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-115925797-B Antibacterial peptide WRKB7 and preparation method and application thereof 南方海洋科学与工程广东省实验室(广州) 2024-11-19 — — CN disclosed
CN-115925797-A Antibacterial peptide WRKB7 and preparation method and application thereof 南方海洋科学与工程广东省实验室(广州) 2023-04-07 — — CN disclosed
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