SCHEMBL5144343

SCHEMBL5144343

NC(CC(=O)O)C(S)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.52
GABBR1 Q9UBS5 1/20 0.52
CYP2C19 P33261 3/20 0.47
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
KMT2A Q03164 2/20 0.41
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL1666942 0.81 GABBR2 (0.52) GABBR2GABBR1CYP2C19FFAR1ADRA2A
SCHEMBL10022854 0.80 GABBR2 (0.55) GABBR2GABBR1CYP2C19KMT2ACYP2D6
SCHEMBL618203 0.80 GABBR2 (0.55) GABBR2GABBR1CYP2C19KMT2ACYP2D6
SCHEMBL618204 0.80 GABBR2 (0.55) GABBR2GABBR1CYP2C19KMT2ACYP2D6
SCHEMBL7876564 0.78 GABBR2 (0.53) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL5322444 0.78 GABBR2 (0.49) GABBR2GABBR1CYP2C19KMT2AFFAR1
SCHEMBL1667061 0.77 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ACYP2D6
SCHEMBL1669595 0.77 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2AMEN1
SCHEMBL6020157 0.77 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2AFFAR1
SCHEMBL1667437 0.77 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027787-A2 ORGANIC DISULFIDE BASED CORROSION INHIBITORS Ecolab USA Inc. (US) 2016-06-08 EP claimed
US-9238588-B2 Organic disulfide based corrosion inhibitors Ecolab USA, Inc. (US) 2016-01-19 US claimed
US-20150037202-A1 ORGANIC DISULFIDE BASED CORROSION INHIBITORS NORRIS RODS, INC., 2015-02-05 US claimed
EP-3027787-A2 ORGANIC DISULFIDE BASED CORROSION INHIBITORS Ecolab USA Inc. (US) 2016-06-08 EP disclosed
US-9238588-B2 Organic disulfide based corrosion inhibitors Ecolab USA, Inc. (US) 2016-01-19 US disclosed
US-20150037202-A1 ORGANIC DISULFIDE BASED CORROSION INHIBITORS NORRIS RODS, INC., 2015-02-05 US disclosed
EP-1368509-A4 COMPOSITION AND METHOD FOR INHIBITION OF METAL CORROSION DONLAR CORP (US) 2007-08-01 EP disclosed
EP-1368509-A2 COMPOSITION AND METHOD FOR INHIBITION OF METAL CORROSION DONLAR CORPORATION (US) 2003-12-10 EP disclosed
US-6620338-B2 Amino thiol or disulfide compound such as cysteine and an acidic polyamino acid such as polyaspartic acid DONLAR CORPORATION 2003-09-16 US disclosed
US-20030060372-A1 Composition for inhibition of metal corrosion DONLAR CORPORATION 2003-03-27 US disclosed
US-6447717-B1 AMINO THIOL AND AMINO DISULFIDE COMPOUNDS DONLAR CORPORATION 2002-09-10 US disclosed
WO-2000075399-A2 COMPOSITION AND METHOD FOR INHIBITION OF METAL CORROSION DONLAR CORPORATION (US) 2000-12-14 WO disclosed