Sugi Predict

Sugi Predict / Compounds / SCHEMBL30234853

SCHEMBL30234853

SCHEMBL30234853

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 14/20 0.62
▸ NPBWR1 P48145 6/20 0.60

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
SCHEMBL30235118 0.93 IL23R (0.67) IL23RNPBWR1
SCHEMBL30130559 0.88 NPBWR1 (0.62) IL23RNPBWR1
SCHEMBL30093016 0.88 NPBWR1 (0.60) IL23RNPBWR1
SCHEMBL31433306 0.87 NPBWR1 (0.69) IL23RNPBWR1
SCHEMBL31433230 0.87 NPBWR1 (0.69) IL23RNPBWR1
SCHEMBL29493518 0.87 PTH1R (0.56) IL23RNPBWR1
SCHEMBL30480905 0.87 PTH1R (0.56) IL23RNPBWR1
SCHEMBL31696777 0.86 IL23R (0.66) IL23RNPBWR1
SCHEMBL30725659 0.86 IL23R (0.53) IL23RNPBWR1
SCHEMBL31433263 0.86 NPBWR1 (0.65) IL23RNPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894627-A Shellfish antibacterial peptide A1-beta and application thereof 浙江海洋大学 2023-04-04 — — CN claimed
CN-115894627-A Shellfish antibacterial peptide A1-beta and application thereof 浙江海洋大学 2023-04-04 — — CN disclosed
CN-115894627-A Shellfish antibacterial peptide A1-beta and application thereof 浙江海洋大学 2023-04-04 — — CN disclosed
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