SCHEMBL3076060

SCHEMBL3076060

C(=NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
EPHX2 P34913 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HSD17B10 Q99714 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL813356 0.67 CA1 (0.43) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL1072726 0.61 EPHX2 (0.50) SIGMAR1EPHX2CA1CA2HSD17B10
SCHEMBL11148891 0.61 EPHX2 (0.50) SIGMAR1EPHX2CA1CA2HSD17B10
Hydrochloric Acid SCHEMBL11156725 0.59 EPHX2 (0.48) SIGMAR1EPHX2CA1CA2HSD17B10
SCHEMBL6156408 0.58 SIGMAR1 (0.61) SIGMAR1EPHX2HSD17B10L3MBTL1
SCHEMBL6154509 0.58 SIGMAR1 (1.00) SIGMAR1EPHX2HSD17B10L3MBTL1
SCHEMBL3073555 0.58 SIGMAR1 (0.61) SIGMAR1EPHX2HSD17B10L3MBTL1
SCHEMBL15892084 0.57 EPHX2 (0.41) SIGMAR1EPHX2CA1CA2HSD17B10
SCHEMBL12653204 0.57 CA1 (0.48) SIGMAR1EPHX2CA1CA2HSD17B10
SCHEMBL7672245 0.57 EPHX2 (0.52) SIGMAR1EPHX2CA1CA2HSD17B10

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 19 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-7537663-B2 Corrosion-inhibiting coating UNIVERSITY OF DAYTON (US) 2009-05-26 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-20040231754-A1 Corrosion-inhibiting coating PHELPS ANDREW W (US) 2004-11-25 US disclosed
US-6818313-B2 TO BE DEPOSITED ONTO STEEL OR CAST IRON SURFACES FOR ENHANCED CORROSION PROTECTION UNIVERSITY OF DAYTON 2004-11-16 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-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 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