SCHEMBL7166741

SCHEMBL7166741

C=CCN(CN)C(CN)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7166743 0.76 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL29817200 0.74 SMPD2 (0.42) GRIK1GRIK2ALDH1A1
SCHEMBL2557862 0.74 GRIK1 (0.38) GRIK1GRIK2ALDH1A1
SCHEMBL30140 0.73 GABRR1 (0.34)
SCHEMBL4541471 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4541470 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10714615 0.72 EPOR (0.40) ALDH1A1
SCHEMBL4352818 0.71 GRIK1 (0.39) GRIK1GRIK2ALDH1A1
SCHEMBL28959979 0.70 BLM (0.42) GRIK1GRIK2ALDH1A1
SCHEMBL28959981 0.70 BLM (0.42) GRIK1GRIK2ALDH1A1

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
JP-2003119496-A CLEANSER COMPOSITION YUSHIRO CHEM IND CO LTD 2003-04-23 JP disclosed