SCHEMBL28869868

SCHEMBL28869868

CCCCCCCCC(CC)C(=O)OCC(C)(C)CO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.50
CA1 P00915 4/20 0.50
MAPK1 P28482 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.40
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
PRKCD Q05655 2/20 0.36
CPB2 Q96IY4 1/20 0.36

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
SCHEMBL247218 0.93 CA2 (0.58) CA2CA1MAPK1GAAXBP1
SCHEMBL28829107 0.85 CA2 (0.55) CA2CA1MAPK1ZDHHC7GRIK1
SCHEMBL296220 0.84 CA2 (0.63) CA2CA1MAPK1GAAXBP1
SCHEMBL14640944 0.84 CA2 (0.63) CA2CA1MAPK1GAAXBP1
SCHEMBL15443491 0.83 CA2 (0.53) CA2CA1MAPK1ZDHHC7GRIK1
SCHEMBL21565830 0.82 CA2 (0.51) CA2CA1MAPK1ZDHHC7GRIK1
SCHEMBL15443390 0.81 CA2 (0.55) CA2CA1MAPK1ZDHHC7GRIK1
SCHEMBL7448889 0.81 CA2 (0.46) CA2CA1ZDHHC7GRIK1GRIK2
SCHEMBL187925 0.81 CA2 (0.59) CA2CA1MAPK1GAAXBP1
SCHEMBL31396735 0.81 CA2 (0.59) CA2CA1MAPK1GAAXBP1

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-109563066-B Process for preparing spiroketal-substituted cyclic ketoenols 拜耳作物科学股份公司 2023-08-29 CN disclosed
CN-109563066-A Process for preparing spiroketal-substituted cyclic ketoenols 拜耳作物科学股份公司 2019-04-02 CN disclosed