SCHEMBL30537469

SCHEMBL30537469

CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
NMT2 O60551 1/20 0.45
NMT1 P30419 1/20 0.45
NPY4R P50391 10/20 0.43
NPY1R P25929 6/20 0.43
NPY2R P49146 5/20 0.43
NPY5R Q15761 4/20 0.43
OPRK1 P41145 1/20 0.41
FURIN P09958 1/20 0.41
TERT O14746 1/20 0.40
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
GLO1 Q04760 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL30537471 0.97 EGFR (0.43) EGFRNMT2NMT1NPY4RNPY1R
SCHEMBL24049252 0.94 NMT1 (0.48) EGFRNMT2NMT1NPY4RNPY1R
SCHEMBL6535206 0.93 EGFR (0.47) EGFRNMT2NMT1NPY4RNPY1R
SCHEMBL6535211 0.93 EGFR (0.47) EGFRNMT2NMT1NPY4RNPY1R
SCHEMBL6534929 0.93 EGFR (0.47) EGFRNMT2NMT1NPY4RNPY1R
SCHEMBL6534934 0.93 EGFR (0.47) EGFRNMT2NMT1NPY4RNPY1R
SCHEMBL30537468 0.92 ERAP2 (0.45) EGFRNMT2NMT1OPRK1FURIN
SCHEMBL6535296 0.92 EGFR (0.46) EGFRNMT2NMT1NPY4RNPY1R
SCHEMBL6535292 0.92 EGFR (0.46) EGFRNMT2NMT1NPY4RNPY1R
SCHEMBL29569500 0.92 PTGS1 (0.43) NMT2NMT1TERTGLO1DPP8

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-116496350-A Dilipoic acid polypeptide monomer, polymer, preparation method and application thereof 四川大学 2023-07-28 CN claimed
CN-116496350-A Dilipoic acid polypeptide monomer, polymer, preparation method and application thereof 四川大学 2023-07-28 CN disclosed
CN-116496350-A Dilipoic acid polypeptide monomer, polymer, preparation method and application thereof 四川大学 2023-07-28 CN disclosed