SCHEMBL2354887

SCHEMBL2354887

CCOC(CC)C(CC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
PPARA Q07869 2/20 0.31
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 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
SCHEMBL240145 0.79 TDP1 (0.37) LMNATDP1CHRM1AKR1A1CHRM3
SCHEMBL2231192 0.79 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2234051 0.78 TP53 (0.41) CA2MAPK1
SCHEMBL11382908 0.77 TDP1 (0.36) LMNATDP1CHRM1AKR1A1CHRM3
SCHEMBL3825901 0.77 TDP1 (0.41) LMNATDP1CHRM1AKR1A1CHRM3
SCHEMBL5827578 0.77 LMNA (0.42) LMNATDP1CHRM1AKR1A1CHRM3
SCHEMBL2353668 0.76 TDP1 (0.34) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1604267 0.74 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13761133 0.74 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4756190 0.74 TDP1 (0.50) 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-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed