SCHEMBL8568010

SCHEMBL8568010

CCCCC(C)C(=O)ON

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.44
SLC15A1 P46059 1/20 0.40
FDPS P14324 1/20 0.40
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37

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
Hydrochloric Acid SCHEMBL8211430 0.98 CA1 (0.45) CA1CA2SLC15A1FDPSCYP3A4
SCHEMBL27934015 0.92 CA1 (0.53) CA1FDPSACE2ZDHHC7
SCHEMBL27705258 0.92 CA1 (0.53) CA1FDPSACE2ZDHHC7
SCHEMBL3683616 0.92 CA1 (0.53) CA1FDPSACE2ZDHHC7
SCHEMBL27941132 0.92 CA1 (0.53) CA1FDPSACE2ZDHHC7
SCHEMBL29030101 0.92 CA1 (0.53) CA1FDPSACE2ZDHHC7
SCHEMBL4437589 0.92 CA1 (0.53) CA1FDPSACE2ZDHHC7
Hydrochloric Acid SCHEMBL28874235 0.90 CA1 (0.52) CA1FDPSACE2ZDHHC7
Hydrochloric Acid SCHEMBL28791309 0.90 CA1 (0.52) CA1FDPSACE2ZDHHC7
Hydrochloric Acid SCHEMBL28252093 0.90 CA1 (0.52) CA1FDPSACE2ZDHHC7

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948141-B 3R-indolylmethyl-6S-Pro modified piperazine-2, 5-dione, synthesis, activity and application thereof 首都医科大学 2021-08-24 CN claimed
CN-108929369-B 3R-indolylmethyl-6R-acidic amino acid modified piperazine-2, 5-dione, and synthesis, activity and application thereof 首都医科大学 2021-08-24 CN claimed
CN-108976277-B 3R-indolylmethyl-6S-polar amino acid modified piperazine-2, 5-dione, and synthesis, activity and application thereof 首都医科大学 2021-07-02 CN claimed
CN-108929313-B 3R-indolylmethyl-6R-aliphatic amino acid modified piperazine-2, 5-dione, and synthesis, activity and application thereof 首都医科大学 2021-06-08 CN claimed
CN-108976147-B Amino n-hexanoyl amido methyl-n-hexanoyl basic amino acid, synthesis, activity and application thereof 首都医科大学 2021-02-12 CN claimed
CN-108929315-B 3R-indolylmethyl-6S-methionine modified piperazine-2, 5-dione, and synthesis, activity and application thereof 首都医科大学 2021-02-12 CN claimed
CN-109456311-B 3R-indolylmethyl-6R-aromatic amino acid modified piperazine-2, 5-diketone and synthesis, activity and application thereof 首都医科大学 2021-02-12 CN claimed
CN-108947977-B Piperazine-2, 5-diketone modified by 3R-indolylmethyl-6R-amide side chain amino acid, and synthesis, activity and application thereof 首都医科大学 2021-02-12 CN claimed
CN-108976201-B 3R-indolylmethyl-6S-aromatic amino acid modified piperazine-2, 5-dione, and synthesis, activity and application thereof 首都医科大学 2021-02-12 CN claimed
CN-109081790-B Amino n-hexanoyl amido methyl-n-hexanoyl basic amino acid, synthesis, activity and application thereof 首都医科大学 2021-02-12 CN claimed
CN-109081789-B Amino n-hexanoyl amido methyl-acylamino n-hexanoyl fatty amino acid, synthesis, activity and application thereof 首都医科大学 2021-01-01 CN claimed
CN-108976145-B Amino n-hexanoyl amido methyl-acylamino n-hexanoyl polar amino acid, synthesis, activity and application thereof 首都医科大学 2020-12-01 CN claimed
CN-108976146-B Amino n-hexanoyl methyl cyclamido n-hexanoyl aromatic amino acid, synthesis, activity and application thereof 首都医科大学 2020-11-27 CN claimed
CN-108929320-B 3R-indolylmethyl-6R-oxazolidinone modified piperazine-2, 5-dione, synthesis, activity and application thereof 首都医科大学 2020-10-16 CN claimed
CN-108947979-B 3R-indolylmethyl-6R-polar amino acid modified piperazine-2, 5-dione, and synthesis, activity and application thereof 首都医科大学 2020-10-16 CN claimed
CN-109134328-B Amino n-caproyl methyl cyclo amido n-caproyl Met, its synthesis, activity and application 首都医科大学 2020-06-19 CN claimed
CN-108947981-B 3R-indolylmethyl-6S-aliphatic amino acid modified piperazine-2, 5-dione, and synthesis, activity and application thereof 首都医科大学 2020-06-19 CN claimed
CN-112739683-B Preparation method of brivaracetam and intermediate thereof 上海宣泰医药科技股份有限公司 2024-04-16 CN disclosed
CN-1642906-A Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-07-20 CN disclosed
WO-1997046098-A9 CLUSTER CLEARING AGENTS 1998-08-06 WO disclosed