SCHEMBL8074653

SCHEMBL8074653

N=C(N)C(CC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.37
FOLH1 Q04609 2/20 0.36
CPB1 P15086 1/20 0.34
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GSR P00390 1/20 0.32

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
SCHEMBL8940205 0.78 TDP1 (0.48) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL110197 0.76 TDP1 (0.59) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL27538444 0.75 SLC22A6 (0.45) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL5221301 0.74 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL27635418 0.74
SCHEMBL3957388 0.74
SCHEMBL1736023 0.74
SCHEMBL1472841 0.74 TDP1 (0.56) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL5681439 0.74 TDP1 (0.56) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
Aspartic Acid SCHEMBL10701366 0.72 GRIK1 (0.48) TDP1GRM8GRM6GRIN2DGRIN3B

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
CN-114705775-B Serum metabolism marker for pulmonary tuberculosis evaluation and application thereof 广东省结核病控制中心 2023-09-12 CN disclosed
CN-116549620-A Cancer vaccine based on part of components in cancer cells or tumor tissues and preparation method thereof 苏州尔生生物医药有限公司 2023-08-08 CN disclosed
CN-116508787-A Urtica thunbergii leaf extract and preparation method and application thereof 贵州农业职业学院 2023-08-01 CN disclosed
EP-0802177-B1 Water-soluble monomer, water-soluble polymer and their production process and use NIPPON CATALYTIC CHEM IND (JP) 2000-08-16 EP disclosed
US-5856418-A FROM ASPARAGIC ACID AND MALEIC ANHYDRIDE NIPPON SHOKUBAI CO., LTD. (JP) 1999-01-05 US disclosed
EP-0802177-A1 Water-soluble monomer, water-soluble polymer and their production process and use NIPPON SHOKUBAI CO., LTD. (JP) 1997-10-22 EP disclosed