SCHEMBL3751301

SCHEMBL3751301

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.41
CYP2C19 P33261 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
BLM P54132 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.35
GRIK1 P39086 3/20 0.32
GRIK2 Q13002 3/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL8011909 0.88 SLC1A3 (0.39) SLC6A3CYP2C19SLC6A2SLC6A4BLM
SCHEMBL18833177 0.87
SCHEMBL9776472 0.87
SCHEMBL4452846 0.87 GPR84 (0.37) SLC6A3CYP2C19SLC6A2SLC6A4BLM
SCHEMBL323329 0.85
SCHEMBL11809830 0.85
SCHEMBL11813333 0.85
SCHEMBL696494 0.85
SCHEMBL3963535 0.85 SLC6A2 (0.56) SLC6A3CYP2C19SLC6A2SLC6A4BLM
SCHEMBL29957730 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7836630-B2 Method of protecting seeds treated with a phytotoxic agent MONSANTO TECHNOLOGY LLC (US) 2010-11-23 US claimed
EP-1566996-B1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2009-11-11 EP claimed
WO-2004049778-A9 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2005-09-22 WO claimed
EP-1566996-A1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT Monsanto Technology LLC (US) 2005-08-31 EP claimed
US-20040118040-A1 Method of protecting seeds treated with a phytotoxic agent MONSANTO TECHNOLOGY, L.L.C. 2004-06-24 US claimed
WO-2004049778-A1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY, LLC (US) 2004-06-17 WO claimed
EP-1566996-B1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2009-11-11 EP disclosed