SCHEMBL9548488

SCHEMBL9548488

CC/C=C(\CBr)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 2/20 0.33
GSK3B P49841 1/20 0.31
TET2 Q6N021 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL9548489 1.00 GRIK1 (0.37) GRIK1GRIK2ALDH1A1TRPA1GSK3B
SCHEMBL8472814 0.83 GRIK1 (0.41) GRIK1GRIK2ALDH1A1TRPA1
SCHEMBL8472817 0.83 GRIK1 (0.41) GRIK1GRIK2ALDH1A1TRPA1
SCHEMBL5331456 0.82 GRIK1 (0.35) GRIK1GRIK2ALDH1A1TET2EGLN1
SCHEMBL5331451 0.82 GRIK1 (0.35) GRIK1GRIK2ALDH1A1TET2EGLN1
SCHEMBL10062277 0.82 GRIK1 (0.35) GRIK1GRIK2ALDH1A1TET2EGLN1
SCHEMBL5963393 0.81 ALDH1A1 (0.46) GRIK1GRIK2ALDH1A1TRPA1EGLN1
SCHEMBL5963394 0.81 ALDH1A1 (0.46) GRIK1GRIK2ALDH1A1TRPA1EGLN1
SCHEMBL16881887 0.80 GRIK1 (0.44) GRIK1GRIK2
SCHEMBL10525151 0.80 GRIK1 (0.34) GRIK1GRIK2ALDH1A1TET2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073885-B2 Vitamin D3 lactone derivatives TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
US-9073885-B2 Vitamin D3 lactone derivatives TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-0336143-B1 A NEW PROCESS FOR CARBAPENEM INTERMEDIATES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-06-09 EP disclosed