SCHEMBL9755836

SCHEMBL9755836

C=CCC(CCC(=O)CC#N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
CPA1 P15085 1/20 0.42
SLC1A2 P43004 1/20 0.35
FOLH1 Q04609 8/20 0.33
TBXAS1 P24557 1/20 0.33
CYP2C19 P33261 1/20 0.32
MME P08473 1/20 0.31
GRM3 Q14832 2/20 0.30
NAALAD2 Q9Y3Q0 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
SCHEMBL9755833 0.84 GRIK1 (0.44) GRIK1GRIK2CPA1SLC1A2CYP2C19
SCHEMBL7002066 0.80 SLC1A2 (0.55) GRIK1GRIK2CPA1SLC1A2TBXAS1
SCHEMBL5677958 0.79 GRIK1 (0.46) GRIK1GRIK2CPA1SLC1A2FOLH1
SCHEMBL463194 0.77 FOLH1 (0.56) GRIK1GRIK2CPA1FOLH1GRM3
SCHEMBL8805759 0.76 FOLH1 (0.54) GRIK1GRIK2CPA1FOLH1GRM3
SCHEMBL9376537 0.74 GRIK1 (0.53) GRIK1GRIK2CPA1FOLH1TBXAS1
SCHEMBL891727 0.72 GRIK1 (0.64) GRIK1GRIK2CPA1FOLH1TBXAS1
SCHEMBL8031351 0.71 GRIK1 (0.53) GRIK1GRIK2CPA1FOLH1TBXAS1
SCHEMBL2137236 0.71 GRIK1 (0.53) GRIK1GRIK2CPA1FOLH1TBXAS1
SCHEMBL923062 0.71

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
WO-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 WO disclosed