SCHEMBL30913264

SCHEMBL30913264

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ FOLH1 Q04609 4/20 0.45
▸ LAP3 P28838 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ CPB2 Q96IY4 2/20 0.41
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ NMT2 O60551 1/20 0.39
▸ NMT1 P30419 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
SCHEMBL30284335 0.96 CPB2 (0.45) ALDH1A1FOLH1LAP3MEN1LMNA
SCHEMBL1711325 0.90 CPB2 (0.47) FOLH1CPB2ERAP2ERAP1LNPEP
SCHEMBL1711738 0.90 CPB2 (0.47) FOLH1CPB2ERAP2ERAP1LNPEP
SCHEMBL1711732 0.90 CPB2 (0.47) FOLH1CPB2ERAP2ERAP1LNPEP
SCHEMBL1711321 0.90 CPB2 (0.47) FOLH1CPB2ERAP2ERAP1LNPEP
Hydrochloric Acid SCHEMBL11366046 0.89 CPB2 (0.47) FOLH1CPB2ERAP2ERAP1LNPEP
SCHEMBL29392005 0.88 FOLH1 (0.47) FOLH1CPB2ERAP2ERAP1LNPEP
SCHEMBL29782763 0.87 FOLH1 (0.51) FOLH1CPB2ERAP2ERAP1LNPEP
SCHEMBL31139320 0.87 ALDH1A1 (0.55) ALDH1A1FOLH1LAP3MEN1LMNA
SCHEMBL31139360 0.87 ALDH1A1 (0.55) ALDH1A1FOLH1LAP3MEN1LMNA

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-117886893-B Antibacterial peptide based on short bacitracin S derivative design and preparation method and application thereof 遵义医科大学珠海校区 2024-11-12 — — CN disclosed
CN-117886893-A Antibacterial peptide based on short bacitracin S derivative design and preparation method and application thereof 遵义医科大学珠海校区 2024-04-16 — — CN disclosed
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