SCHEMBL3070966

SCHEMBL3070966

O=C(NC1CCCCC1)SC(=O)NC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.61
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
RAB9A P51151 3/20 0.61
MAPT P10636 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP3A4 P08684 1/20 0.61
EPHX2 P34913 1/20 0.61
MMP2 P08253 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
HPGD P15428 2/20 0.50
MMP8 P22894 1/20 0.50
ALOX15 P16050 1/20 0.50
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL3074584 0.87 EPHX1 (0.52) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL12132230 0.85 EPHX1 (0.61) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL3080582 0.85 EPHX1 (0.50) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL21232553 0.84 PDK1 (0.49) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL3083823 0.83 EPHX1 (0.48) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL10813432 0.81 EPHX1 (0.56) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL5265739 0.79 EPHX1 (0.54) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL1756850 0.77 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL530140 0.77 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL1757033 0.77 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AMAPT

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