SCHEMBL11446232

SCHEMBL11446232

CCOc1ccc(CCNC(=O)O)cc1OCC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MEN1 O00255 1/20 0.67
GAA P10253 2/20 0.62
POLB P06746 1/20 0.61
GRK2 P25098 1/20 0.61
CASP6 P55212 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 4/20 0.57
CYP3A4 P08684 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL16973505 0.88 KMT2A (0.54) KMT2AMEN1GAAPOLBGRK2
SCHEMBL14976630 0.88 KMT2A (0.63) KMT2AMEN1GAAPOLBL3MBTL1
SCHEMBL28619310 0.85 GAA (0.66) KMT2AMEN1GAAPOLBL3MBTL1
SCHEMBL29463727 0.85 GAA (0.66) KMT2AMEN1GAAPOLBL3MBTL1
SCHEMBL11638911 0.85 GAA (0.66) KMT2AMEN1GAAPOLBL3MBTL1
SCHEMBL29463748 0.85 GAA (0.66) KMT2AMEN1GAAPOLBL3MBTL1
SCHEMBL14975698 0.85 SMN1; SMN2 (0.72) KMT2AMEN1GAAPOLBSMN1; SMN2
SCHEMBL9269689 0.84 KMT2A (0.59) KMT2AMEN1GAAL3MBTL1SMN1; SMN2
SCHEMBL14985314 0.84 GAA (0.64) KMT2AMEN1GAAL3MBTL1SMN1; SMN2
SCHEMBL14976546 0.82 GAA (0.62) KMT2AMEN1GAAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007441-A1 N - (N-Acetyl-L-methionyl) - 3,4 -diethoxy-carbonyloxy-phenethylamine, process for preparing same and a pharmaceutical composition containing said compound. Tanabe Seiyaku Co., Ltd. (JP) 1980-02-06 EP claimed
JP-55007242-A None JP disclosed
CN-101668742-B Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD 2014-04-30 CN disclosed
CN-101668742-A Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD 2010-03-10 CN disclosed
US-4228183-A HYPOTENSIVE AGENTS TANABE SEIYAKU CO., LTD. (JP) 1980-10-14 US disclosed
US-4228183-A HYPOTENSIVE AGENTS TANABE SEIYAKU CO., LTD. (JP) 1980-10-14 US disclosed
EP-0007441-A1 N - (N-Acetyl-L-methionyl) - 3,4 -diethoxy-carbonyloxy-phenethylamine, process for preparing same and a pharmaceutical composition containing said compound. Tanabe Seiyaku Co., Ltd. (JP) 1980-02-06 EP disclosed
EP-0007441-A1 N - (N-Acetyl-L-methionyl) - 3,4 -diethoxy-carbonyloxy-phenethylamine, process for preparing same and a pharmaceutical composition containing said compound. Tanabe Seiyaku Co., Ltd. (JP) 1980-02-06 EP disclosed
JP-S557242-A PHENETHYLAMINE DERIVATIVE TANABE SEIYAKU CO LTD 1980-01-19 JP disclosed