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Sugi Predict / Compounds / SCHEMBL30294045

SCHEMBL30294045

SCHEMBL30294045

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 14/20 0.58
▸ F11 P03951 1/20 0.55
▸ TSLP Q969D9 1/20 0.54
▸ IL23R Q5VWK5 2/20 0.54
▸ SSTR2 P30874 1/20 0.54
▸ SSTR5 P35346 1/20 0.54
▸ KLKB1 P03952 1/20 0.53

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
SCHEMBL15987248 1.00 F12 (0.58) F12F11TSLPIL23RSSTR2
SCHEMBL31692748 1.00 F12 (0.58) F12F11TSLPIL23RSSTR2
Polyphemusin Ii SCHEMBL29449206 0.96 F12 (0.62) F12IL23RSSTR2SSTR5KLKB1
SCHEMBL29353475 0.91 F12 (0.58) F12F11IL23RSSTR2SSTR5
SCHEMBL29509630 0.90 F12 (0.58) F12SSTR2SSTR5KLKB1
SCHEMBL15987187 0.84 F12 (0.67) F12
SCHEMBL29385468 0.82 KCNMA1 (0.57) F12TSLPSSTR2SSTR5KLKB1
SCHEMBL29932187 0.78 CXCR4 (0.64) F12
SCHEMBL31692775 0.77 CXCR4 (0.73) F12SSTR2
SCHEMBL29466599 0.77 CXCR4 (0.73) F12SSTR2

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
WO-2025128741-A1 OCTADECANOID COMPOSITIONS AND METHODS OF ACTIVATING MUCOSAL REPAIR PATHWAYS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-06-19 — — WO disclosed
CN-117042812-A CXCR 4-ligands and precursors thereof for diagnostic and therapeutic uses 慕尼黑工业大学 2023-11-10 — — CN disclosed
US-11590198-B2 Methods and reagents for efficient and targeted delivery of therapeutic molecules to CXCR4 cells UNIVERSITAT AUTONOMA DE BARCELONA (ES) 2023-02-28 — — US disclosed
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