SCHEMBL4451197

SCHEMBL4451197

C=C(C)C(=O)OC.C=C(C)C(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
CREBBP Q92793 1/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MITF O75030 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 2/20 0.40
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL3784249 0.94 KMT2A (0.48) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL4351249 0.81 ALDH1A1 (0.50) KMT2AMEN1LMNAPOLBALDH1A1
Methacrylic Acid SCHEMBL27555674 0.79 KMT2A (0.44) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL9420507 0.78 TDP1 (0.69) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL11563856 0.78 KMT2A (0.52) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL4907649 0.77 TTR (0.50) KMT2AMEN1LMNAPOLBALDH1A1
Methacrylic Acid SCHEMBL27456429 0.76 TDP1 (0.65) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL1221505 0.74 TDP1 (0.54) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL619394 0.74 ALDH1A1 (0.57) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL30460084 0.74 ALDH1A1 (0.57) KMT2AMEN1LMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976934-A4 RADIATION CURABLE SYSTEM GARNETT JOHN LYNDON (AU) 2009-05-13 EP disclosed
CN-101395225-A Radiation curable system GARNETT JOHN LYNDON (AU) 2009-03-25 CN disclosed
EP-1976934-A1 RADIATION CURABLE SYSTEM Garnett, John Lyndon (AU) 2008-10-08 EP disclosed
WO-2007079541-A1 RADIATION CURABLE SYSTEM GARNETT JOHN LYNDON (AU) 2007-07-19 WO disclosed