SCHEMBL4386669

SCHEMBL4386669

C=CCC(C[Si](C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.50
GRIK2 Q13002 7/20 0.50
CPA1 P15085 1/20 0.48
CYP2C19 P33261 1/20 0.36
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL891727 0.79 GRIK1 (0.64) GRIK1GRIK2CPA1CYP2C19CHRM1
SCHEMBL6050002 0.77 GRIK1 (0.75) GRIK1GRIK2CPA1CYP2C19CHRM1
SCHEMBL629461 0.76
SCHEMBL9138443 0.75 GRIK1 (0.50) GRIK1GRIK2CPA1CYP2C19CHRM1
Hydrogen Sulfide SCHEMBL27837245 0.74 GRIK1 (0.53) GRIK1GRIK2CPA1CYP2C19CHRM1
SCHEMBL10625605 0.73
4-En-Metabolite SCHEMBL1000796 0.72 CHRM1 (0.62) GRIK1GRIK2CPA1CYP2C19CHRM1
SCHEMBL1885655 0.72 GRIK1 (0.62) GRIK1GRIK2CPA1CYP2C19
4-En-Metabolite SCHEMBL9111371 0.72 CHRM1 (0.62) GRIK1GRIK2CPA1CYP2C19CHRM1
SCHEMBL4795102 0.72 GRIK1 (0.62) GRIK1GRIK2CPA1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed
US-6518305-B1 For inhibiting neuraminidases from disease- causing microorganisms, especially, influenza neuraminidase ABBOTT LABORATORIES 2003-02-11 US disclosed
WO-2001028979-A2 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
EP-1087938-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-04 EP disclosed
WO-1999054290-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 1999-10-28 WO disclosed