SCHEMBL1682020

SCHEMBL1682020

C=CCC(C(C)=O)C(=O)O.[Zr]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.41
GRIK2 Q13002 3/20 0.41
CYP2C19 P33261 1/20 0.39
CPA1 P15085 1/20 0.39
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL31585 0.98 GRIK1 (0.42) GRIK1GRIK2CYP2C19CPA1FNTA
SCHEMBL5879474 0.95 GRIK1 (0.41) GRIK1GRIK2CYP2C19CPA1FNTA
SCHEMBL1973010 0.87 GRIK1 (0.40) GRIK1GRIK2CYP2C19CPA1ALDH1A1
Acetoacetic Acid SCHEMBL9493534 0.86 GRIK1 (0.35) GRIK1GRIK2CYP2C19CPA1FNTA
SCHEMBL30979220 0.85 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1ALDH1A1
SCHEMBL30979219 0.85 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1ALDH1A1
SCHEMBL11227837 0.83 GRIK1 (0.42) GRIK1GRIK2CYP2C19CPA1FNTA
Ethyl Acetate SCHEMBL28822004 0.82 ALDH1A1 (0.50) GRIK1GRIK2CYP2C19CPA1ALDH1A1
SCHEMBL8762424 0.82 GRIK1 (0.33) GRIK1GRIK2CYP2C19CPA1
SCHEMBL7584648 0.82 GRIK1 (0.34) GRIK1GRIK2CYP2C19CPA1ALDH1A1

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
EP-2483204-A2 METHODS OF MAKING METAL-OXIDES AND USES THEREOF FOR WATER TREATMENT AND ENERGY APPLICATIONS The Regents of The University of California (US) 2012-08-08 EP disclosed
WO-2011044518-A2 METHODS OF MAKING METAL-OXIDES AND USES THEREOF FOR WATER TREATMENT AND ENERGY APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-14 WO disclosed