SCHEMBL13705644

SCHEMBL13705644

CCCC(OC(=O)C(C)(C)C)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL13705649 0.87 SMPD1 (0.43) PRKCA
SCHEMBL2883505 0.81 PRKCA (0.36) PRKCA
SCHEMBL13705648 0.79 PRKCA (0.37) PRKCACHRM1AKR1A1CHRM3HTR2A
SCHEMBL6379125 0.76
SCHEMBL1171815 0.75 CHRM1 (0.36) PRKCACHRM1AKR1A1CHRM3HTR2A
SCHEMBL16591104 0.75 CA2 (0.36)
SCHEMBL23198152 0.74 PRKCA (0.41) PRKCACHRM1AKR1A1CHRM3HTR2A
SCHEMBL13073714 0.74 PRKCA (0.41) PRKCACHRM1AKR1A1CHRM3HTR2A
SCHEMBL2934272 0.74 PRKCA (0.41) PRKCACHRM1AKR1A1CHRM3HTR2A
SCHEMBL1142628 0.74 PRKCA (0.41) PRKCACHRM1AKR1A1CHRM3HTR2A

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
EP-2100907-A1 RESIN COMPOSITION FOR PRINTING PLATE Asahi Kasei Chemicals Corporation (JP) 2009-09-16 EP disclosed