SCHEMBL6507592

SCHEMBL6507592

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.46
PRKCD Q05655 2/20 0.46
CTSK P43235 4/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CA2 P00918 3/20 0.32

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
SCHEMBL6507593 0.92 PRKCA (0.41) PRKCAPRKCDCTSKCHRM1AKR1A1
SCHEMBL348985 0.91 PRKCA (0.49) PRKCAPRKCDCTSKCHRM1AKR1A1
SCHEMBL21566978 0.88 PRKCA (0.47) PRKCAPRKCDCTSKCHRM1AKR1A1
SCHEMBL14245197 0.86 PRKCA (0.46) PRKCAPRKCDCTSKCHRM1AKR1A1
SCHEMBL3475993 0.85 PRKCA (0.44) PRKCAPRKCDCTSKCA2CA1
SCHEMBL28668713 0.85 PRKCA (0.40) PRKCAPRKCDCTSKCA2CA1
SCHEMBL1068452 0.85 PRKCA (0.40) PRKCAPRKCDCTSKTDP1TSHR
SCHEMBL5505348 0.83 ALDH1A1 (0.48) PRKCAPRKCDCTSKCHRM1AKR1A1
SCHEMBL5514865 0.83 PRKCA (0.47) PRKCAPRKCDCTSKCHRM1AKR1A1
SCHEMBL4654249 0.80 CTSK (0.44) PRKCAPRKCDCTSKCHRM1AKR1A1

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-2005015670-A MONOMER COMPOSITION FOR PLASTIC OPTICAL MATERIALS AND ITS CURED PRODUCT NOF CORP 2005-01-20 JP disclosed