SCHEMBL6307669

SCHEMBL6307669

CCCCCCC(N)C(O)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.48
GRIK2 Q13002 2/20 0.48
SPHK1 Q9NYA1 2/20 0.48
OPRM1 P35372 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
CYP2D6 P10635 2/20 0.45
LMNA P02545 2/20 0.45
GMNN O75496 1/20 0.45
POLB P06746 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CETP P11597 1/20 0.45
HTT P42858 1/20 0.45

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 1.00 GRIK1 (0.48) GRIK1GRIK2SPHK1OPRM1SLC1A2
SCHEMBL11575019 1.00 GRIK1 (0.48) GRIK1GRIK2SPHK1OPRM1SLC1A2
SCHEMBL6301888 0.98 OPRM1 (0.48) GRIK1GRIK2SPHK1OPRM1SLC1A2
SCHEMBL6300689 0.91
SCHEMBL30707879 0.80
SCHEMBL3101060 0.80
SCHEMBL1146614 0.80
SCHEMBL8021744 0.79 OPRM1 (0.48) GRIK1GRIK2SPHK1OPRM1SLC1A2
SCHEMBL28472462 0.78
SCHEMBL28348793 0.78 SPHK1 (0.54) GRIK1GRIK2SPHK1OPRM1SLC1A2

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 2 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
US-4169834-A RIFAMYCIN DERIVATIVES GRUPPO LEPETIT S.P.A. (IT) 1979-10-02 US disclosed