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Sugi Predict / Compounds / SCHEMBL30974433

SCHEMBL30974433

SCHEMBL30974433

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.60
▸ BACE1 P56817 8/20 0.54
▸ CTSD P07339 1/20 0.53
▸ PTH1R Q03431 1/20 0.52
▸ BACE2 Q9Y5Z0 1/20 0.52

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
SCHEMBL31725269 0.98 TFPI (0.59) TFPIBACE1CTSDPTH1RBACE2
SCHEMBL30839569 0.95 TFPI (0.56) TFPIBACE1CTSDBACE2
SCHEMBL30421823 0.92 TFPI (0.61) TFPIBACE1CTSDBACE2
SCHEMBL29622911 0.91 TFPI (0.62) TFPIBACE1CTSD
SCHEMBL31454246 0.91 TFPI (0.56) TFPIBACE1CTSDBACE2
SCHEMBL29591183 0.91 TFPI (0.67) TFPIBACE1CTSDBACE2
SCHEMBL30097927 0.90 TFPI (0.57) TFPIPTH1R
SCHEMBL30974416 0.90 TFPI (0.56) TFPIPTH1R
SCHEMBL31031503 0.90 TFPI (0.60) TFPI
SCHEMBL31031480 0.89 TFPI (0.55) TFPI

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
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