SCHEMBL30440274

SCHEMBL30440274

CCCCC(NC(=O)[C@H](CCCCNC(=O)CCS)NC(=O)CCS)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.54
SIRT5 Q9NXA8 2/20 0.47
NOD1 Q9Y239 2/20 0.45
ROCK2 O75116 3/20 0.43
PRKACA P17612 1/20 0.43
AKT3 Q9Y243 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ALB P02768 1/20 0.43
GLP1R P43220 8/20 0.43
NMT2 O60551 2/20 0.41
NMT1 P30419 2/20 0.41

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
SCHEMBL16377384 0.91 TLR2 (0.52) TLR2SIRT5NOD1ROCK2PRKACA
SCHEMBL30440181 0.88 ALB (0.48) TLR2SIRT5NOD1ROCK2PRKACA
SCHEMBL31626331 0.88 ALB (0.48) TLR2SIRT5NOD1ROCK2PRKACA
SCHEMBL12417661 0.87 TLR2 (0.58) TLR2SIRT5ROCK2PRKACAAKT3
SCHEMBL16328742 0.84 SIRT6 (0.53) TLR2NOD1SIRT6SIRT1GLP1R
Formic Acid SCHEMBL30439638 0.83 ALB (0.45) TLR2SIRT5NOD1ROCK2PRKACA
SCHEMBL15084766 0.82 NOD1 (0.63) TLR2NOD1ALBGLP1R
Formic Acid SCHEMBL29057396 0.80 NOD1 (0.42) TLR2NOD1
SCHEMBL14902998 0.80 CASP2 (0.51) TLR2SIRT5NOD1SIRT6SIRT1
SCHEMBL13371966 0.80 GLP1R (0.48) TLR2SIRT5NOD1ROCK2PRKACA

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-116437965-A Conjugates of saponins, oligonucleotides and GALNAC 萨普雷米科技有限公司 2023-07-14 CN disclosed