SCHEMBL3072731

SCHEMBL3072731

OC(CC(=S)c1cccs1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
KEAP1 Q14145 1/20 0.49
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
DAO P14920 1/20 0.37
GSK3B P49841 1/20 0.37
SLC5A2 P31639 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR1A P08908 1/20 0.35
HDAC1 Q13547 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3087864 0.81 CES2 (0.44) CES2CES1KEAP1NPC1RAB9A
SCHEMBL3070427 0.79 ALDH1A1 (0.62) CES2CES1KEAP1NPC1RAB9A
SCHEMBL4440609 0.73 NPC1 (0.57) CES2CES1KEAP1NPC1RAB9A
SCHEMBL3962690 0.73 CES2 (0.49) CES2CES1KEAP1NPC1RAB9A
SCHEMBL28316937 0.73 CES2 (0.49) CES2CES1KEAP1NPC1RAB9A
SCHEMBL4446826 0.73 CES2 (0.49) CES2CES1KEAP1NPC1RAB9A
SCHEMBL1200875 0.71 ALOX5 (0.47) CES2CES1KEAP1NPC1RAB9A
SCHEMBL27571074 0.71 ALOX5 (0.47) CES2CES1KEAP1NPC1RAB9A
SCHEMBL13988109 0.71 CES2 (0.47) CES2CES1KEAP1NPC1RAB9A
SCHEMBL5246407 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 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
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-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed