SCHEMBL1406746

SCHEMBL1406746

CCC(C)OC(=O)C(CCC(=O)O)(C(C)=O)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL1406587 0.81 MEN1 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL27589591 0.80 TSHR (0.31) MAPT
SCHEMBL3103453 0.78 CYP1A2 (0.38) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL6884478 0.76 MEN1 (0.31) MEN1KMT2A
SCHEMBL1406265 0.74 MEN1 (0.35) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL4163478 0.71
SCHEMBL7021398 0.71 KMT2A (0.45) MEN1ALDH1A1KMT2AMAPT
SCHEMBL4027050 0.70 MEN1 (0.37) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL4759426 0.69 ALDH1A1 (0.45) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL644570 0.69 EGLN1 (0.43) ALDH1A1CYP1A2MAPTFFAR3HDAC3

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-1490412-B1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2011-03-09 EP disclosed
US-7166648-B2 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-20050256218-A1 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-11-17 US disclosed
EP-1490412-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-12-29 EP disclosed
WO-2003082929-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-10-09 WO disclosed