SCHEMBL3751303

SCHEMBL3751303

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
BLM P54132 1/20 0.52
SLC6A3 Q01959 1/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
TET2 Q6N021 3/20 0.43
KDM4A O75164 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
TET3 O43151 1/20 0.43
FOLH1 Q04609 10/20 0.41
CYP1A2 P05177 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41

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
SCHEMBL2186782 0.80 TDP1 (0.39) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL3963535 0.77 SLC6A2 (0.56) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL28623051 0.77
SCHEMBL28157180 0.72 LMNA (0.41) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL11528893 0.72 CYP2D6 (0.60) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL13291956 0.72 CYP2D6 (0.60) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL2950664 0.70 TSHR (0.47) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL20610497 0.70 SLC6A2 (0.52) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL6077603 0.68
Vigabatrin SCHEMBL9132153 0.68

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