SCHEMBL3068539

SCHEMBL3068539

O=C(O)C=CNC1CC2CCC1C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 3/20 0.44
EPHX1 P07099 1/20 0.42
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.40
SIGMAR1 Q99720 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 2/20 0.36
DPP4 P27487 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PANK3 Q9H999 1/20 0.36

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
SCHEMBL3073779 0.84 EPHX2 (0.42) HPGDSMN1; SMN2EPHX2EPHX1MAPK1
SCHEMBL3087394 0.83 HPGD (0.57) HPGDSMN1; SMN2EPHX2EPHX1MAPK1
SCHEMBL5638134 0.72 EPHX2 (0.43) HPGDSMN1; SMN2EPHX2EPHX1MAPK1
SCHEMBL15655475 0.71 EPHX2 (0.59) HPGDSMN1; SMN2EPHX2EPHX1MAPK1
SCHEMBL26089624 0.71 EPHX2 (0.59) HPGDSMN1; SMN2EPHX2EPHX1MAPK1
SCHEMBL15655476 0.71 EPHX2 (0.59) HPGDSMN1; SMN2EPHX2EPHX1MAPK1
SCHEMBL4461499 0.71 EPHX2 (0.59) HPGDSMN1; SMN2EPHX2EPHX1MAPK1
SCHEMBL15655473 0.71 EPHX2 (0.59) HPGDSMN1; SMN2EPHX2EPHX1MAPK1
SCHEMBL6767038 0.69 MAPT (0.37) HPGDSMN1; SMN2EPHX2EPHX1ALDH1A1
SCHEMBL3068813 0.69 EPHX1 (0.76) HPGDSMN1; SMN2EPHX2EPHX1MAPK1

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 16 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
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed