Sugi Predict

Sugi Predict / Compounds / SCHEMBL31410826

SCHEMBL31410826

SCHEMBL31410826

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 5/20 0.47
▸ SCTR P47872 1/20 0.47
▸ F2 P00734 4/20 0.46
▸ BACE1 P56817 6/20 0.45
▸ BACE2 Q9Y5Z0 1/20 0.45
▸ CRHR1 P34998 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ KISS1R Q969F8 3/20 0.43

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
SCHEMBL31410884 0.96 BACE1 (0.48) GLP1RSCTRF2BACE1BACE2
SCHEMBL31410841 0.91 BACE1 (0.45) GLP1RSCTRBACE1BACE2
SCHEMBL31307258 0.91 GLP1R (0.51) GLP1RF2BACE1BACE2CRHR1
SCHEMBL30320554 0.90 BACE1 (0.51) GLP1RSCTRBACE1BACE2
SCHEMBL30720017 0.88 BACE1 (0.46) GLP1RSCTRF2BACE1BACE2
SCHEMBL30997475 0.86 F2 (0.41) GLP1RSCTRF2BACE1
SCHEMBL30589934 0.86 TASP1 (0.50) GLP1RF2BACE1KISS1R
SCHEMBL30720018 0.86 BACE1 (0.45) GLP1RSCTRF2BACE1BACE2
SCHEMBL31573970 0.86 BACE1 (0.49) GLP1RBACE1BACE2
SCHEMBL31307253 0.86 CRHR1 (0.49) GLP1RF2BACE1CRHR1CRHR2

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
WO-2025002589-A1 TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS Uniwersytet Gdański (PL) 2025-01-02 — — WO claimed
WO-2025002589-A1 TISSUE EXTRACELLULAR PEPTIDE PATTERNS DEDICATED FOR GENERATION OF ANTI-CANCER VACCINES AGAINST SALIVARY GLAND TUMOR, IDENTIFICATION AND ISOLATION OF SALIVARY GLAND TUMOR SPECIFIC T CELLS IN HUMANS Uniwersytet Gdański (PL) 2025-01-02 — — WO disclosed
Send feedback