SCHEMBL29402191

SCHEMBL29402191

O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.47
IDO1 P14902 1/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
TYR P14679 1/20 0.44
CTSK P43235 2/20 0.43
TACR1 P25103 2/20 0.43
CTSL P07711 1/20 0.43

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
SCHEMBL31614372 0.96 CASP1 (0.47) CASP1BCHEACHECACNA1FCACNA1D
SCHEMBL10313730 0.96 CASP1 (0.47) CASP1BCHEACHECACNA1FCACNA1D
SCHEMBL7299901 0.94 BCHE (0.50) CASP1BCHEACHECACNA1FCACNA1D
SCHEMBL31047751 0.94 KYNU (0.49) CASP1BCHEACHECACNA1FCACNA1D
SCHEMBL7130286 0.90 BCHE (0.48) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL13418028 0.90 CASP1 (0.43) CASP1BCHEACHECACNA1FCACNA1D
SCHEMBL29401031 0.90 KLK7 (0.47) BCHEACHECTSKCTSL
SCHEMBL15450633 0.88 ACE (0.45) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL7998762 0.88 CASP1 (0.50) CASP1
SCHEMBL11802015 0.88 CASP1 (0.43) CASP1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed