SCHEMBL3070965

SCHEMBL3070965

O=C(NC1CCCCC1)OC(=S)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
EPHX1 P07099 7/20 0.55
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPK1 P28482 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
PTPN11 Q06124 1/20 0.52
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
EPHX2 P34913 1/20 0.50
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.44

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
SCHEMBL3077689 0.85 ALDH1A1 (0.68) ALDH1A1CYP3A4TP53EPHX1GAA
SCHEMBL3074582 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4TP53EPHX1GAA
SCHEMBL28524384 0.78 EPHX1 (0.57) ALDH1A1CYP3A4EPHX1SMN1; SMN2NPC1
SCHEMBL3074813 0.78 ALDH1A1 (0.58) ALDH1A1CYP3A4TP53EPHX1GAA
SCHEMBL16478352 0.78 EPHX1 (0.57) ALDH1A1CYP3A4EPHX1SMN1; SMN2NPC1
SCHEMBL20647726 0.76 EPHX1 (0.65) ALDH1A1CYP3A4EPHX1SMN1; SMN2NPC1
SCHEMBL3077411 0.76 EPHX1 (0.55) ALDH1A1CYP3A4EPHX1SMN1; SMN2NPC1
SCHEMBL3069816 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4TP53EPHX1GAA
SCHEMBL3076390 0.74 EPHX1 (0.53) ALDH1A1CYP3A4EPHX1SMN1; SMN2NPC1
SCHEMBL29840854 0.74 EPHX1 (0.53) ALDH1A1CYP3A4EPHX1SMN1; SMN2NPC1

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-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-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-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed