SCHEMBL5040797

SCHEMBL5040797

CCC(OCC=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.38
MIF P14174 1/20 0.37
ALKBH1 Q13686 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.36
IGLV6-57 P01721 1/20 0.36
POLB P06746 2/20 0.35
GSR P00390 1/20 0.35
MEN1 O00255 2/20 0.35
CASR P41180 1/20 0.34
SLC6A4 P31645 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CYP2D6 P10635 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
SCHEMBL5322356 0.79 GABBR2 (0.43) KMT2ACYP2D6
SCHEMBL1357121 0.79 LMNA (0.43) LMNAALDH1A1HTTKMT2AIGLV6-57
SCHEMBL3408278 0.78 LMNA (0.46) LMNAALDH1A1HTTMIFPOLB
SCHEMBL27389987 0.78 LMNA (0.46) LMNAALDH1A1HTTMIFPOLB
SCHEMBL1827511 0.77 LMNA (0.42) LMNAALDH1A1HTTMIFALKBH1
SCHEMBL13616887 0.77 LMNA (0.42) LMNAALDH1A1HTTMIFALKBH1
SCHEMBL2322250 0.77 HCAR2 (0.43) HTTKMT2AMEN1HCAR2CYP2D6
SCHEMBL16416740 0.76 CYP2D6 (0.44) LMNAALDH1A1KMT2AGSRMEN1
SCHEMBL11363032 0.76 LMNA (0.41) LMNAALDH1A1HTTKMT2AIGLV6-57
SCHEMBL4871158 0.75 LMNA (0.43) LMNAALDH1A1HTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677745-A4 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS INC (US) 2008-10-22 EP disclosed
EP-1677745-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-07-12 EP disclosed
WO-2005037208-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-04-28 WO disclosed
EP-1465897-A2 PROCESS FOR PREPARING PROTEASE INHIBITOR INTERMEDIATES SmithKline Beecham Corporation (US) 2004-10-13 EP disclosed
WO-2003024974-A2 PROCESS FOR PREPARING PROTEASE INHIBITOR INTERMEDIATES SMITHKLINE BEECHAM CORPORATION (US) 2003-03-27 WO disclosed