SCHEMBL7928839

SCHEMBL7928839

CCCC(OC(=O)OOC(=O)OC(CCC)OC(C)C)OC(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 3/20 0.31
CYP3A4 P08684 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 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
SCHEMBL2252304 0.82 TSHR (0.46) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL598490 0.79 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13705648 0.77 PRKCA (0.37) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL13463215 0.76 TSHR (0.40) LMNATSHR
SCHEMBL6380134 0.75 TSHR (0.35) TSHR
SCHEMBL8358144 0.74 FAAH (0.38) LMNACHRM1AKR1A1CHRM3HTR2A
Bicarbonate SCHEMBL7928846 0.73 CHRM1 (0.38) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL10277388 0.73 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL16805823 0.72 MMP1 (0.33) LMNATSHR
SCHEMBL16805818 0.71 TSHR (0.37) LMNATDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903217-B1 Cast-molding material for plastic lens and process for the production of plastic lens HOYA CORP (JP) 2001-10-24 EP disclosed
US-6187888-B1 CONTAINING, AS ESSENTIAL COMPONENTS, A COMBINATION OF DIETHYLENE GLYCOL BISALLYLCARBONATE OR A MIXTURE OF DIETHYLENE GLYCOL BISALLYLCARBONATE AND A MONOMER COPOLYMERIZABLE THEREWITH, AND A POLYETHER-MODIFIED SILICONE COMPOUND HOYA CORPORATION 2001-02-13 US disclosed
US-6056900-A COMBINATION OF (A) DIETHYLENE GLYCOL BISALLYLCARBONATE OR A MIXTURE WITH A MONOMER COPOLYMERIZABLE THEREWITH, WITH (B) A POLYETHER-MODIFIED SILICONE COMPOUND; ALMOST FREE FROM CAUSING DEFECTIVE DYEING WHEN DYED HOYA CORPORATION (JP) 2000-05-02 US disclosed
EP-0903217-A2 Cast-molding material for plastic lens and process for the production of plastic lens Hoya Corporation (JP) 1999-03-24 EP disclosed