Sugi Predict

Sugi Predict / Compounds / SCHEMBL30974323

SCHEMBL30974323

SCHEMBL30974323

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 9/20 0.47
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ GLP1R P43220 4/20 0.47
▸ SCTR P47872 1/20 0.47
▸ GRPR P30550 1/20 0.46
▸ CTSD P07339 1/20 0.46
▸ F2 P00734 4/20 0.46

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
SCHEMBL30974246 0.99 BACE1 (0.47) BACE1BACE2GLP1RSCTRGRPR
SCHEMBL30974612 0.97 BACE1 (0.51) BACE1BACE2GLP1RSCTRGRPR
SCHEMBL30974400 0.97 GLP1R (0.49) BACE1BACE2GLP1RSCTRGRPR
SCHEMBL29856045 0.90 BACE1 (0.44) BACE1GLP1RSCTRGRPRCTSD
SCHEMBL30218810 0.90 CALCR (0.48) BACE1GLP1RSCTRF2
SCHEMBL30512529 0.89 GLP1R (0.48) GLP1RSCTR
SCHEMBL30865080 0.89 F2 (0.49) BACE1GLP1RSCTRF2
SCHEMBL31548694 0.88 BACE1 (0.58) BACE1BACE2GLP1RSCTRGRPR
SCHEMBL30350141 0.87 GLP1R (0.54) BACE1BACE2GLP1RSCTRF2
SCHEMBL31529693 0.87 BACE1 (0.57) BACE1BACE2GLP1RGRPRCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024132726-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
Send feedback