SCHEMBL3069822

SCHEMBL3069822

NC(=NC1CCCCC1)OC(=S)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX12 P18054 1/20 0.36
EPHX1 P07099 2/20 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
SCHEMBL3077413 0.80 SIGMAR1 (0.56) SIGMAR1ALDH1A1CYP3A4LMNASMN1; SMN2
SCHEMBL3074813 0.78 ALDH1A1 (0.58) SIGMAR1ALDH1A1TP53CYP3A4LMNA
SCHEMBL3077689 0.78 ALDH1A1 (0.68) ALDH1A1TP53CYP3A4LMNAGAA
SCHEMBL3074582 0.75 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4LMNAGAA
SCHEMBL3066411 0.75 ALDH1A1 (0.54) SIGMAR1ALDH1A1TP53CYP3A4LMNA
SCHEMBL3319896 0.72 SIGMAR1 (1.00) SIGMAR1ALDH1A1TP53CYP3A4LMNA
SCHEMBL26456614 0.72 SIGMAR1 (1.00) SIGMAR1ALDH1A1TP53CYP3A4LMNA
SCHEMBL3319901 0.72 SIGMAR1 (1.00) SIGMAR1ALDH1A1TP53CYP3A4LMNA
SCHEMBL3078041 0.71 SIGMAR1 (0.58) SIGMAR1ALDH1A1TP53CYP3A4LMNA
SCHEMBL3915786 0.70 SIGMAR1 (0.96) SIGMAR1ALDH1A1TP53CYP3A4LMNA

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
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-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