SCHEMBL31129145

SCHEMBL31129145

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.46
CTSD P07339 4/20 0.46
PDCD1LG2 Q9BQ51 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GSR P00390 1/20 0.39
ECE1 P42892 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
ERAP2 Q6P179 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
SCHEMBL30728888 0.93 NMT1 (0.46) NMT2NMT1DPP8DPP9DPP7
SCHEMBL29630490 0.91 NMT1 (0.46) BACE1CTSDPDCD1LG2CD274NMT2
SCHEMBL30081121 0.91 NMT1 (0.46) BACE1CTSDPDCD1LG2CD274NMT2
SCHEMBL30320474 0.88 BACE1 (0.46) BACE1CTSDPDCD1LG2CD274NMT2
SCHEMBL29776755 0.87 GSR (0.44) BACE1CTSDDPP8DPP9DPP7
SCHEMBL31319511 0.86 NMT2 (0.44) BACE1CTSDNMT2NMT1DPP8
SCHEMBL28519430 0.86 BACE1 (0.48) BACE1CTSDDPP8DPP9DPP7
SCHEMBL10941127 0.85 ECE1 (0.41) BACE1CTSDPDCD1LG2CD274NMT2
SCHEMBL30886110 0.85 NMT1 (0.43) BACE1CTSDPDCD1LG2CD274NMT2
SCHEMBL30567425 0.84 NMT1 (0.45) PDCD1LG2CD274NMT2NMT1DPP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118745209-A Stable antibacterial peptide in blood plasma and preparation method and application thereof 国家纳米科学中心 2024-10-08 CN disclosed