SCHEMBL29071065

SCHEMBL29071065

CCCCC(CCCC)C(=O)OOC(=O)C(CCCC)CCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.59
CA1 P00915 4/20 0.59
MAPK1 P28482 1/20 0.54
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
SLC1A3 P43003 1/20 0.45
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
FDPS P14324 1/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 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
SCHEMBL631533 0.91 CA2 (0.73) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL28436755 0.91 CA2 (0.55) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL26688534 0.89 CA2 (0.70) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL22775246 0.89 CA2 (0.48) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL4238915 0.89 CA2 (0.59) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL1767485 0.85 CA2 (0.50) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL10339951 0.84 HDAC1 (0.55) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL22775243 0.83 CA2 (0.63) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL27748158 0.83 CA2 (0.48) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL8820062 0.83 CA2 (0.63) CA2CA1MAPK1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008019-B Method for producing diacyl peroxide 诺力昂化学品国际有限公司 2023-09-15 CN disclosed