SCHEMBL6507593

SCHEMBL6507593

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSK P43235 4/20 0.33
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CYP3A4 P08684 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
SCHEMBL6507592 0.92 PRKCA (0.46) PRKCAPRKCDCHRM1AKR1A1CHRM3
SCHEMBL28587394 0.88 CTSK (0.33) CTSK
SCHEMBL3475994 0.87 PRKCA (0.40) PRKCAPRKCDCTSKCA2MAPK1
SCHEMBL348985 0.83 PRKCA (0.49) PRKCAPRKCDCHRM1AKR1A1CHRM3
SCHEMBL348986 0.81 PRKCA (0.47) PRKCAPRKCDCHRM1AKR1A1CHRM3
SCHEMBL21566978 0.81 PRKCA (0.47) PRKCAPRKCDCHRM1AKR1A1CHRM3
SCHEMBL28143436 0.80
SCHEMBL14245197 0.79 PRKCA (0.46) PRKCAPRKCDCHRM1AKR1A1CHRM3
SCHEMBL28353835 0.79 CTSK (0.39) CTSKTSHR
SCHEMBL3475993 0.78 PRKCA (0.44) PRKCAPRKCDCTSKCA2MAPK1

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