SCHEMBL3078052

SCHEMBL3078052

NC(=O)OC(=O)OSSCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.41
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.38
PTPRC P08575 1/20 0.36
PLA2G10 O15496 1/20 0.35
PLA2G2A P14555 1/20 0.35
PARP10 Q53GL7 1/20 0.34
GAA P10253 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 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
SCHEMBL3065039 0.87 CYP2C19 (0.40) IDO1NOS1NOS3NOS2CYP2C19
SCHEMBL3068717 0.84 CYP2C19 (0.38) IDO1NOS1NOS3NOS2LMNA
SCHEMBL23630628 0.79 CYP2C19 (0.44) IDO1NOS1NOS3NOS2LMNA
SCHEMBL3078184 0.77 CYP2C19 (0.38) IDO1NOS1NOS3NOS2LMNA
SCHEMBL22207429 0.76 ALDH1A1 (0.48) IDO1NOS1NOS3NOS2LMNA
SCHEMBL3073616 0.75 CYP2C19 (0.36) IDO1NOS1NOS3NOS2LMNA
Dibenzyl Disulfide SCHEMBL28006296 0.74 IDO1 (0.56) IDO1NOS1NOS3NOS2CYP2C19
Dibenzyl Disulfide SCHEMBL27966611 0.74 IDO1 (0.56) IDO1NOS1NOS3NOS2CYP2C19
Dibenzyl Disulfide SCHEMBL27853226 0.73 IDO1 (0.54) IDO1NOS1NOS3NOS2CYP2C19
SCHEMBL27677975 0.72 ALDH1A1 (0.44) IDO1LMNACYP2C19ALDH1A1

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 18 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
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP 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-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed