SCHEMBL2231373

SCHEMBL2231373

CCCC(C(O)CC)C(CC)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
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.34
GRIK1 P39086 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34

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
SCHEMBL28035948 0.81 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1000793 0.80 TDP1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9636422 0.80 TDP1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1716610 0.80 TDP1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3700076 0.80 TDP1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13986496 0.80 TDP1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3837519 0.77 TDP1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL687714 0.77 TDP1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL18759735 0.77 LMNA (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL16817203 0.77 LMNA (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C

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