SCHEMBL30974097

SCHEMBL30974097

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.41
PTGS1 P23219 1/20 0.40
GSTK1 Q9Y2Q3 1/20 0.40
TFPI P10646 1/20 0.39
NPY4R P50391 8/20 0.39
NPY1R P25929 5/20 0.39
NPY2R P49146 4/20 0.39
NPY5R Q15761 4/20 0.39
EGFR P00533 1/20 0.38
KEAP1 Q14145 1/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
OPRL1 P41146 1/20 0.37

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
SCHEMBL14028314 0.93 NOD1 (0.41) GLO1TFPINPY4RNPY1RNPY2R
SCHEMBL31031613 0.93 NOD1 (0.43) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL31349358 0.93 NPY4R (0.40) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL19791172 0.93 PTGS1 (0.41) GLO1PTGS1GSTK1NPY4RNPY1R
SCHEMBL9448545 0.89 BMP1 (0.42) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29591749 0.89 PTGS1 (0.42) GLO1PTGS1GSTK1TFPINPY4R
SCHEMBL30193470 0.88 NPY4R (0.47) PTGS1GSTK1NPY4RNPY1RNPY2R
SCHEMBL29655791 0.88 PTGS1 (0.44) GLO1PTGS1GSTK1NPY4RNPY1R
SCHEMBL29655840 0.88 PTGS1 (0.44) GLO1PTGS1GSTK1NPY4RNPY1R
SCHEMBL29655812 0.88 PTGS1 (0.44) GLO1PTGS1GSTK1NPY4RNPY1R

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-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 claimed
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