SCHEMBL30320474

SCHEMBL30320474

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.46
CTSD P07339 4/20 0.46
PDCD1LG2 Q9BQ51 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CPB2 Q96IY4 1/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
TLR2 O60603 1/20 0.41
FOLH1 Q04609 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
FURIN P09958 1/20 0.40
PCSK6 P29122 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
SCHEMBL29630586 0.90 CPB2 (0.47) CPB2NMT2NMT1TLR2FOLH1
SCHEMBL29392074 0.90 FOLH1 (0.46) CPB2NMT2NMT1FOLH1
SCHEMBL30733208 0.89 FOLH1 (0.50) PDCD1LG2CD274CPB2NMT2NMT1
SCHEMBL31129145 0.88 BACE1 (0.46) BACE1CTSDPDCD1LG2CD274NMT2
SCHEMBL29630631 0.87 FOLH1 (0.54) BACE1CTSDCPB2NMT2NMT1
SCHEMBL30836809 0.87 FOLH1 (0.54) BACE1CTSDCPB2NMT2NMT1
SCHEMBL29458355 0.87 BACE1 (0.46) BACE1CTSDNMT2NMT1FOLH1
SCHEMBL29391811 0.86 FOLH1 (0.48) BACE1CTSDNMT2NMT1FOLH1
SCHEMBL29630490 0.86 NMT1 (0.46) BACE1CTSDPDCD1LG2CD274CPB2
SCHEMBL30081121 0.86 NMT1 (0.46) BACE1CTSDPDCD1LG2CD274CPB2

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-111269289-B Tumor cell affinity peptide separated from venenum bufonis and screening method thereof 南京中医药大学 2023-04-18 CN disclosed