SCHEMBL6301888

SCHEMBL6301888

CCCCCC(N)C(O)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
SPHK1 Q9NYA1 2/20 0.45
TP53 P04637 2/20 0.43
LAP3 P28838 2/20 0.43
DPP7 Q9UHL4 1/20 0.42
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL11572928 0.98 GRIK1 (0.48) OPRM1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL11575019 0.98 GRIK1 (0.48) OPRM1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL6307669 0.98 GRIK1 (0.48) OPRM1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL6300689 0.93
SCHEMBL30707879 0.82
SCHEMBL1146614 0.82
SCHEMBL3101060 0.82
SCHEMBL8021744 0.81 OPRM1 (0.48) OPRM1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL28472462 0.80
SCHEMBL8021739 0.79 OPRM1 (0.46) OPRM1GRIK1GRIK2SLC1A2SLC1A1

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
US-6977297-B1 Methods and means for modification of glucosinolates in plants PLANT BIOSCIENCE LIMITED (GB) 2005-12-20 US disclosed
EP-1032691-A1 METHODS AND MEANS FOR MODIFICATION OF GLUCOSINOLATES IN PLANTS Plant Bioscience Limited (GB) 2000-09-06 EP disclosed
WO-1999027120-A1 METHODS AND MEANS FOR MODIFICATION OF GLUCOSINOLATES IN PLANTS PLANT BIOSCIENCE LIMITED (GB) 1999-06-03 WO disclosed
EP-0416097-A1 PROCESS FOR PRODUCING TROPANE ALKALOIDS SEITAIKINOU RIYOU KAGAKUHIN SHINSEIZOUGIJUTSU KENKYU KUMIAI (JP) 1991-03-13 EP disclosed