SCHEMBL30657489

SCHEMBL30657489

COC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.53
NMBR P28336 4/20 0.53
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
CASP1 P29466 3/20 0.48
CASP3 P42574 2/20 0.48
CASP7 P55210 2/20 0.48
CASP4 P49662 1/20 0.48
CASP5 P51878 1/20 0.48
CASP9 P55211 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CASP10 Q92851 1/20 0.48
MME P08473 2/20 0.47
ECE1 P42892 2/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL29392130 0.89 NMBR (0.58) RENNMBRMAPTLMNAGAA
SCHEMBL23133281 0.87 REN (0.48) REN
SCHEMBL20257155 0.87 REN (0.48) REN
SCHEMBL9696550 0.85 MAPT (0.63) RENNMBRMAPTLMNAGAA
SCHEMBL9696556 0.85 MAPT (0.63) RENNMBRMAPTLMNAGAA
SCHEMBL2036149 0.84 SIRT5 (0.53) RENNMBRMAPTLMNAGAA
SCHEMBL9498124 0.83 NMBR (0.65) NMBRMAPTLMNAGAAHTT
SCHEMBL9498114 0.83 NMBR (0.65) NMBRMAPTLMNAGAAHTT
SCHEMBL9498909 0.83 NMBR (0.62) RENNMBRMAPTLMNAGAA
SCHEMBL9498913 0.83 NMBR (0.62) RENNMBRMAPTLMNAGAA

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
EP-4397770-A1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS PreAnalytiX GmbH (CH) 2024-07-10 EP disclosed
EP-3401406-B1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS PREANALYTIX GMBH (CH) 2023-11-29 EP disclosed