SCHEMBL27589591

SCHEMBL27589591

CCC(C)OC(=O)C(CC)(C(C)=O)C(C)=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
MAPT P10636 2/20 0.31
GALR3 O60755 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL27589592 0.81
SCHEMBL1406746 0.80 MEN1 (0.37) MAPT
SCHEMBL2984810 0.75 MAPT (0.33) MAPT
SCHEMBL4406928 0.75 MAPT (0.33) MAPT
SCHEMBL2982491 0.75 MAPT (0.33) MAPT
SCHEMBL2479166 0.74 PRKCA (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2980891 0.74 PRKCA (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2976274 0.74 PRKCA (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL23292892 0.72 PRKCA (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31567504 0.72 MAPT (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R

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
CN-1445315-A Ray sensitive compasition for preparing insulation film and display JSR CORP (JP) 2003-10-01 CN disclosed