SCHEMBL3078044

SCHEMBL3078044

Nc1cccc(CC(O)Cc2cccc(N)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
MAOA P21397 2/20 0.52
CYP19A1 P11511 1/20 0.50
ADRB2 P07550 4/20 0.48
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
DDX3X O00571 1/20 0.39

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
SCHEMBL11135365 0.89 PNMT (0.56) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL15178064 0.85 ADRB2 (0.45) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL15178088 0.85 ADRB2 (0.45) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL21368939 0.85 MAOB (0.50) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL28286282 0.84 MAOA (0.46) MAOBMAOAADRB2CPN1CPB2
SCHEMBL8281166 0.83 ADRB2 (0.52) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL7865952 0.83 MAOB (0.48) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL29249616 0.80 CSNK1E (0.52) MAOBMAOAADRB2
SCHEMBL28388 0.79
SCHEMBL30394391 0.79

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 15 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
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