SCHEMBL3069640

SCHEMBL3069640

O=C(O)c1ccc(-c2ccccc2)c(S)c1S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
HNF4A P41235 3/20 0.48
MAPT P10636 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PTPN1 P18031 4/20 0.46
ALDH1A1 P00352 2/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
ALOX15 P16050 1/20 0.44
ACMSD Q8TDX5 2/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
DCLRE1A Q6PJP8 1/20 0.43
DCLRE1B Q9H816 1/20 0.43
BCAT2 O15382 1/20 0.42
PTPN6 P29350 2/20 0.42
PTPN2 P17706 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL30704073 0.85 FOLH1 (0.53) FOLH1HDAC8HSD17B10
SCHEMBL9289259 0.84 HNF4A (0.63) FOLH1HNF4AMAPTHDAC8PTPN1
SCHEMBL3078093 0.80 BACE1 (0.37) FOLH1HNF4AHDAC8PTPN1ALDH1A1
SCHEMBL22261814 0.80 CYP1A2 (0.58) MAPTHDAC8PTPN1ALDH1A1ALOX15
SCHEMBL29764178 0.80 CYP1A2 (0.58) MAPTHDAC8PTPN1ALDH1A1ALOX15
SCHEMBL1465737 0.78 MAPT (0.48) HNF4AMAPTHDAC8ALDH1A1FABP3
SCHEMBL6537038 0.78 HNF4A (0.71) FOLH1HNF4AHDAC8PTPN1ALDH1A1
SCHEMBL4557142 0.75 ALDH1A1 (0.50) MAPTALDH1A1ATMHSD17B10CYP1A2
SCHEMBL17164118 0.75 NR4A1 (0.52) FOLH1HNF4APTPN1ALDH1A1FABP3
SCHEMBL8614463 0.74 HNF4A (0.47) FOLH1HNF4APTPN1ALDH1A1FABP3

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 20 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-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed