SCHEMBL3072276

SCHEMBL3072276

OC1Oc2ccccc2OC1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NISCH Q9Y2I1 3/20 0.39
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
CA2 P00918 2/20 0.35
HTT P42858 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL329447 0.81 MAOA (0.46) MAOAMAOBNISCHABCG2ITGB2
SCHEMBL7557450 0.73 MAOA (0.45) MAOAMAOBNISCH
SCHEMBL462821 0.71 MAOA (0.42) MAOAMAOBNISCHALDH1A1HPGD
SCHEMBL30888361 0.71 MAOA (0.42) MAOAMAOBNISCHALDH1A1HPGD
SCHEMBL2838579 0.70 RET (0.58) MAOBHTTPOLBRETKDR
SCHEMBL5728870 0.69 MAOA (0.41) MAOAMAOBNISCH
SCHEMBL4551401 0.69 CA2 (0.55) CA2HTTPOLBALDH1A1HPGD
SCHEMBL963837 0.69 NISCH (0.53) NISCHABCG2ITGB2ICAM1ITGAL
SCHEMBL4333283 0.69 CA2 (0.45) MAOAMAOBNISCHCA2HTT
SCHEMBL10977242 0.69 CA2 (0.36) MAOAMAOBNISCHCA2HTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 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-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
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-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed