SCHEMBL2233673

SCHEMBL2233673

CCC(CC(C)CO)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 5/20 0.54
SLC1A3 P43003 5/20 0.54
SLC1A2 P43004 5/20 0.54
CA2 P00918 1/20 0.45
MAPK1 P28482 1/20 0.45
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MME P08473 1/20 0.38
TSHR P16473 1/20 0.37
TRPA1 O75762 2/20 0.36

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
SCHEMBL1716335 0.86 SLC1A3 (0.58) SLC1A1SLC1A3SLC1A2CA2MAPK1
SCHEMBL8314295 0.86 SLC1A3 (0.58) SLC1A1SLC1A3SLC1A2CA2MAPK1
SCHEMBL16273567 0.86 SLC1A1 (0.54) SLC1A1SLC1A3SLC1A2CHRM1AKR1A1
SCHEMBL751062 0.83 SLC1A2 (0.71) SLC1A1SLC1A3SLC1A2CA2MAPK1
SCHEMBL25944727 0.82 SLC1A3 (0.54) SLC1A1SLC1A3SLC1A2CA2MAPK1
SCHEMBL21052490 0.80 SLC1A3 (0.52) SLC1A1SLC1A3SLC1A2CA2MAPK1
SCHEMBL12950310 0.80 CHRM1 (0.56) SLC1A1SLC1A3SLC1A2CA2MAPK1
SCHEMBL21388964 0.80 SLC1A3 (0.57) SLC1A1SLC1A3SLC1A2CA2MAPK1
SCHEMBL17618960 0.80 SLC1A3 (0.52) SLC1A1SLC1A3SLC1A2CA2MAPK1
SCHEMBL15217711 0.80 SLC1A2 (0.68) SLC1A1SLC1A3SLC1A2CA2MAPK1

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 4 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