SCHEMBL6942796

SCHEMBL6942796

O=S(=O)(O)CC(NCCO)NCCO

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC22A6 Q4U2R8 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
SCHEMBL18895489 0.76 SLC22A6 (0.31) SLC22A6
SCHEMBL29757953 0.76 MEN1 (0.31) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL28038414 0.76 SLC6A4 (0.35) SLC22A6
SCHEMBL28038447 0.76 SLC6A4 (0.35) SLC22A6
SCHEMBL11146988 0.70 LMNA (0.33) MEN1ALDH1A1KMT2A
SCHEMBL11142806 0.68 LMNA (0.35) MEN1USP2ALDH1A1MAPTKMT2A
Diethanolamine SCHEMBL2460717 0.68 GRIA1 (0.35) ALDH1A1SLC22A6
SCHEMBL21494138 0.67 TSHR (0.34) MEN1USP2ALDH1A1MAPTKMT2A
Diethanolamine SCHEMBL28434179 0.67 GRIA1 (0.34) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL2869288 0.67 GRIA1 (0.33) MEN1USP2ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248310-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2004-12-09 US claimed
US-20040121420-A1 Method for detection of 4-hydroxybutyric acid and its precursor(s) in fluids SMITH JACK V (US) 2004-06-24 US claimed
US-20030186451-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads. and lateral flow SMITH JACK V (US) 2003-10-02 US claimed
US-6617123-B1 Contacting sample with mixture of an esterase, a pH indicator dye and a buffer; colorimetric analysis; easy, convenient test strips SMITH JACK V (US) 2003-09-09 US claimed
US-6537823-B1 Use in determination of adulterants in illicit drug screening samples as a means of detecting false negative results SCITECK DIAGNOSTICS, INC. 2003-03-25 US claimed
US-20030045003-A1 Method for detection of the adulterant urine luckTM in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-03-06 US claimed
US-20030027350-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-02-06 US claimed
US-20020182600-A1 Method for assaying biological and other constituents using synthetic nucleounits in lateral flow, liquid, and dry chemistry techniques SMITH JACK V (US) 2002-12-05 US claimed
US-20040248310-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2004-12-09 US disclosed
US-20040121420-A1 Method for detection of 4-hydroxybutyric acid and its precursor(s) in fluids SMITH JACK V (US) 2004-06-24 US disclosed
US-20030186451-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads. and lateral flow SMITH JACK V (US) 2003-10-02 US disclosed
US-6617123-B1 Contacting sample with mixture of an esterase, a pH indicator dye and a buffer; colorimetric analysis; easy, convenient test strips SMITH JACK V (US) 2003-09-09 US disclosed
US-6537823-B1 Use in determination of adulterants in illicit drug screening samples as a means of detecting false negative results SCITECK DIAGNOSTICS, INC. 2003-03-25 US disclosed
US-20030045003-A1 Method for detection of the adulterant urine luckTM in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-03-06 US disclosed
US-20030027350-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-02-06 US disclosed
US-20020182600-A1 Method for assaying biological and other constituents using synthetic nucleounits in lateral flow, liquid, and dry chemistry techniques SMITH JACK V (US) 2002-12-05 US disclosed