SCHEMBL29167382

SCHEMBL29167382

CCCCC(CC)C(=O)OCC.[Cu]

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.68
CA1 P00915 4/20 0.68
MAPK1 P28482 1/20 0.57
CPB2 Q96IY4 2/20 0.47
ATM Q13315 2/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL332831 0.98 CA2 (0.70) CA2CA1MAPK1CPB2ATM
SCHEMBL17617151 0.98 CA2 (0.70) CA2CA1MAPK1CPB2ATM
SCHEMBL17617127 0.98 CA2 (0.70) CA2CA1MAPK1CPB2ATM
SCHEMBL28570078 0.96 CA2 (0.68) CA2CA1MAPK1CPB2ATM
SCHEMBL15880449 0.96 CA2 (0.68) CA2CA1MAPK1CPB2ATM
SCHEMBL27676334 0.96 CA2 (0.68) CA2CA1MAPK1CPB2ATM
Bicarbonate SCHEMBL28407433 0.94 CA2 (0.66) CA2CA1MAPK1CPB2ATM
Hydrochloric Acid SCHEMBL6340583 0.94 CA2 (0.66) CA2CA1MAPK1CPB2ATM
SCHEMBL3682929 0.92 CA2 (0.62) CA2CA1MAPK1CPB2SLC1A2
SCHEMBL12860221 0.92 CA2 (0.62) CA2CA1MAPK1CPB2SLC1A2

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
CN-117323997-A Copper-zinc-zirconium ternary catalyst for synthesizing methanol and preparation method and application thereof 中国科学院大连化学物理研究所 2024-01-02 CN claimed
CN-117323997-A Copper-zinc-zirconium ternary catalyst for synthesizing methanol and preparation method and application thereof 中国科学院大连化学物理研究所 2024-01-02 CN disclosed