SCHEMBL3079180

SCHEMBL3079180

O=C(O)c1ccccc1SC1CC2CCC1C2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
GRIK1 P39086 1/20 0.49
GRIA2 P42262 1/20 0.49
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
NLRP1 Q9C000 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL3065416 0.85 HSD17B10 (0.41) ALDH1A1L3MBTL1GRIK1GRIA2HSD17B10
SCHEMBL3072518 0.77 HPGD (0.40) ALDH1A1L3MBTL1HSD17B10CYP1A2HPGD
SCHEMBL25275207 0.74 POLB (0.59) ALDH1A1L3MBTL1GRIK1GRIA2HSD17B10
SCHEMBL14398421 0.72 GRIK1 (0.48) ALDH1A1L3MBTL1GRIK1GRIA2HSD17B10
SCHEMBL2543828 0.71 POLB (0.55) ALDH1A1L3MBTL1GRIK1GRIA2HSD17B10
SCHEMBL19617767 0.71 POLB (0.55) ALDH1A1L3MBTL1GRIK1GRIA2HSD17B10
SCHEMBL1147613 0.70 ALDH1A1 (0.56) ALDH1A1L3MBTL1GRIK1GRIA2HSD17B10
SCHEMBL15012867 0.68 GRIK1 (0.52) ALDH1A1GRIK1GRIA2HSD17B10POLB
Thiosalicylic Acid SCHEMBL3057420 0.68 MAPT (0.56) ALDH1A1L3MBTL1HSD17B10GAAHPGD
SCHEMBL9402766 0.68 GRM1 (0.48) ALDH1A1L3MBTL1GAASLC6A3

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
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
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed