SCHEMBL6574609

SCHEMBL6574609

CCC(C(C)=O)C(=O)O.CCCO[Al]OCCC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
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

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
SCHEMBL2672118 0.84 ALDH1A1 (0.31)
SCHEMBL157028 0.78
SCHEMBL2672299 0.78 CA2 (0.30) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL9153552 0.76 TDP1 (0.38) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL21225948 0.76 TDP1 (0.38) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL1157667 0.76 TDP1 (0.38) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL487120 0.76 TDP1 (0.38) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL21219177 0.76 TDP1 (0.38) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL21519882 0.76 TDP1 (0.38) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL3182058 0.76 TDP1 (0.38) CA2MAPK1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090960-B1 TWO-PACK TYPE CURABLE COMPOSITION AND HARDENER THEREFOR KANEKA CORP (JP) 2004-06-02 EP disclosed
US-6703442-B1 CURING AGENT COMPOSITION FOR TWO-PACK TYPE CURABLE COMPOSITION USE, WHICH COMPRISES HYDROLYZABLE SILYL GROUP-CONTAINING COMPOUND INCLUDING AMINOALKYL GROUP, NON-PHTHALIC ACID ESTER BASED PLASTICIZER, AND BIVALENT TIN BASED CURING CATALYST KANEKA CORPORATION (JP) 2004-03-09 US disclosed
EP-1090960-A1 TWO-PACK TYPE CURABLE COMPOSITION AND HARDENER THEREFOR Kaneka Corporation (JP) 2001-04-11 EP disclosed