SCHEMBL4969726

SCHEMBL4969726

CC(NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(NCC(=O)OCC[Si](C)(C)C)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.38
EPHX1 P07099 2/20 0.38
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FAAH O00519 1/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NAAA Q02083 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3601068 0.79 L3MBTL1 (0.40) MGLLEPHX1BCL9CTNNB1L3MBTL1
SCHEMBL3601072 0.79 L3MBTL1 (0.40) MGLLEPHX1BCL9CTNNB1L3MBTL1
SCHEMBL4971092 0.76 PPARG (0.41) MGLLEPHX1L3MBTL1HTR2AALDH1A1
SCHEMBL4969719 0.74 MEN1 (0.39) MGLLBCL9CTNNB1L3MBTL1ALDH1A1
SCHEMBL12920133 0.73 L3MBTL1 (0.39) MGLLEPHX1L3MBTL1FAAHALDH1A1
SCHEMBL3604530 0.72 L3MBTL1 (0.40) MGLLEPHX1L3MBTL1ALDH1A1KMT2A
SCHEMBL3604532 0.72 L3MBTL1 (0.40) MGLLEPHX1L3MBTL1ALDH1A1KMT2A
SCHEMBL1161760 0.68 HTR2A (0.54) MGLLBCL9CTNNB1L3MBTL1HTR2A
SCHEMBL7257343 0.68 MGLL (0.57) MGLLBCL9CTNNB1HTR2AALDH1A1
SCHEMBL6820152 0.68 HTR2A (0.51) MGLLEPHX1BCL9CTNNB1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed