SCHEMBL3072047

SCHEMBL3072047

[O-][n+]1nccc2ccc3ccccc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLAU P00749 2/20 0.38
F12 P00748 1/20 0.38
NCF1 P14598 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.38
HPRT1 P00492 1/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.35

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
SCHEMBL6684284 0.73 ALDH1A1 (0.50) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL5894390 0.71 ATM (0.43)
Phenanthrene SCHEMBL2087874 0.65 CYP2A6 (0.92) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL6281749 0.65 CYP2A6 (0.92) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL27546440 0.63 ALDH1A1 (0.86) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL30932938 0.62 CYP2A6 (1.00) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29477074 0.62 CYP2A6 (1.00) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL7643 0.62 CYP2A6 (1.00) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29358486 0.62 CYP2A6 (1.00) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Phenanthrene SCHEMBL27458043 0.62 CYP2A6 (1.00) CYP2A6ALDH1A1HSD17B10TSHRTDP1

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-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-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