SCHEMBL3076026

SCHEMBL3076026

O=C(NSSSCc1ccccc1)OC(=O)ONSSSCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
BRD4 O60885 1/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PTPRC P08575 1/20 0.32
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
MAPT P10636 1/20 0.32
PLA2G4B P0C869 1/20 0.31

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
SCHEMBL3084876 0.88 CYP2C19 (0.39) PPARGPPARABRD4RAB9ALMNA
SCHEMBL3064199 0.83 PARP10 (0.38) PPARGPPARARAB9ALMNAHTT
SCHEMBL7074367 0.76 CYP2C19 (0.39) PPARGPPARABRD4RAB9ALMNA
SCHEMBL10800563 0.67 CYP2C19 (0.44) PPARGPPARALMNASMN1; SMN2CYP2C19
SCHEMBL7080031 0.66 CYP2C19 (0.41) RAB9ALMNAHTTSMN1; SMN2NPC1
SCHEMBL3078184 0.66 CYP2C19 (0.38) LMNASMN1; SMN2CYP2C19L3MBTL1IDO1
SCHEMBL1255779 0.65 IDO1 (0.46) CYP2C19IDO1ALDH1A1
Dibenzyl Trisulfide SCHEMBL2803113 0.65 IDO1 (0.46) CYP2C19IDO1ALDH1A1
SCHEMBL3073616 0.64 CYP2C19 (0.36) LMNASMN1; SMN2CYP2C19L3MBTL1IDO1
SCHEMBL3075707 0.64 MAPT (0.32) SMN1; SMN2CYP2C19ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed