SCHEMBL30943802

SCHEMBL30943802

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.43
NPY4R P50391 10/20 0.42
NPY1R P25929 6/20 0.42
NPY2R P49146 5/20 0.42
NPY5R Q15761 5/20 0.42
EPHX2 P34913 1/20 0.42
GLO1 Q04760 1/20 0.42
PTGS1 P23219 1/20 0.41
GSTK1 Q9Y2Q3 1/20 0.41
FOLH1 Q04609 2/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL29880339 0.99 NOD1 (0.44) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL8000021 0.95 NOD1 (0.43) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL8000016 0.95 NOD1 (0.43) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29823853 0.93 EGFR (0.43) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30880861 0.93 FOLH1 (0.47) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31257051 0.93 NOD1 (0.40) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29481503 0.92 NOD1 (0.50) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29568549 0.92 NPY4R (0.47) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30099497 0.92 NPY4R (0.46) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30692037 0.92 NPY4R (0.46) NOD1NPY4RNPY1RNPY2RNPY5R

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
CN-117986322-A Coconut meal source active peptide and application thereof 海南大学 2024-05-07 CN claimed
CN-117986322-A Coconut meal source active peptide and application thereof 海南大学 2024-05-07 CN disclosed
CN-117986322-A Coconut meal source active peptide and application thereof 海南大学 2024-05-07 CN disclosed