SCHEMBL2232093

SCHEMBL2232093

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GRIK1 P39086 1/20 0.38
SLC1A3 P43003 1/20 0.38

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
SCHEMBL26940421 1.00 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27343492 0.98 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL446541 0.87 CHRM1 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2354259 0.86 CA2 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL26940474 0.86 CA2 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7713576 0.84 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3206858 0.83 SMN1; SMN2 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL26940415 0.83 SMN1; SMN2 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29165517 0.83 GPR84 (0.53) GRIK1GRIK2CA2ACE2GPR84
SCHEMBL27670297 0.83 GPR84 (0.53) GRIK1GRIK2CA2ACE2GPR84

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 5 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
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
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
CN-1766733-A Phototonus resin composition, spacer for display panel and display panel JSR CORP (JP) 2006-05-03 CN disclosed