SCHEMBL30118983

SCHEMBL30118983

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.45
▸ ERAP2 Q6P179 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY4R P50391 1/20 0.41
▸ BACE1 P56817 6/20 0.41
▸ TEAD4 Q15561 1/20 0.40
▸ TEAD3 Q99594 1/20 0.40
▸ CTSD P07339 1/20 0.39
▸ GNPAT O15228 1/20 0.39
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ CPB2 Q96IY4 1/20 0.38

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
SCHEMBL29466783 0.97 FOLH1 (0.44) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL31432513 0.94 FOLH1 (0.48) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL30242246 0.92 FOLH1 (0.43) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL30834756 0.90 FOLH1 (0.51) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL30512779 0.90 BACE1 (0.52) BACE1TEAD4TEAD3CTSDGRIN2D
SCHEMBL31065107 0.88 FOLH1 (0.51) FOLH1ERAP2ERAP1LNPEPCPB2
SCHEMBL29611990 0.88 ERAP2 (0.49) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL31753464 0.87 FOLH1 (0.53) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL31010530 0.87 FOLH1 (0.44) FOLH1NPY1RNPY2RNPY4RBACE1
SCHEMBL30900798 0.87 ERAP2 (0.50) FOLH1ERAP2ERAP1LNPEPNPY1R

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
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN disclosed
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN disclosed
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