SCHEMBL2230657

SCHEMBL2230657

CCCOC(CC)C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL11693323 0.88 CA2 (0.39) CA2MAPK1HCAR2
SCHEMBL16155345 0.83 ALDH1A1 (0.31) TDP1HSD17B10
SCHEMBL5827578 0.83 LMNA (0.42) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2124344 0.82 CA1 (0.35) CA2HSD17B10
SCHEMBL9730213 0.78 TDP1 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL18556278 0.78 CA2 (0.33) CA2MAPK1
SCHEMBL16133409 0.77 CES2 (0.38) MAPK1
SCHEMBL13015783 0.77 HCAR2 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7636697 0.76 SLC1A3 (0.33) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9899967 0.75 CHRM1 (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed