SCHEMBL29254397

SCHEMBL29254397

CCC(CC)=C(CNC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.47
GRIA4 P48058 1/20 0.47
GRIK3 Q13003 1/20 0.47
GRIK5 Q16478 1/20 0.47
FFAR3 O14843 1/20 0.36
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30

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
SCHEMBL7755782 0.78 GRIK1 (0.54) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL676153 0.77 GRIK1 (0.48) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL6653726 0.73 GRIK1 (0.41) GRIK1GRIA4GRIK3GRIK5TDP1
Dimethylamine SCHEMBL10973447 0.73 FFAR3 (0.44) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL9747819 0.72 GRIK1 (0.48) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL28065698 0.70 FFAR3 (0.43) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL4091544 0.70 FFAR3 (0.43) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL10560641 0.70 GRIK1 (0.47) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL5796432 0.69 FNTA (0.47) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL4592350 0.68 GRIK1 (0.50) GRIK1GRIA4GRIK3GRIK5FFAR3

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-118076343-A Treatment of vesicant exposure 朱迪思·波士顿 2024-05-24 CN disclosed