SCHEMBL1726115

SCHEMBL1726115

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 2/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
CA14 Q9ULX7 2/20 0.38
CA7 P43166 2/20 0.38
CTSK P43235 2/20 0.37
EPHX1 P07099 1/20 0.37

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
Hydrochloric Acid SCHEMBL28116886 0.84 TDP1 (0.41) TDP1MEN1KMT2AGAACA12
SCHEMBL18354701 0.81 TDP1 (0.50) TDP1MEN1KMT2AGAACA12
SCHEMBL29728283 0.80 TDP1 (0.41) TDP1MEN1KMT2AGAACA12
SCHEMBL18272943 0.80 TDP1 (0.47) TDP1MEN1KMT2AGAACA12
SCHEMBL11989021 0.77 TDP1 (0.55) TDP1MEN1KMT2AGAACA12
SCHEMBL27969727 0.77 KMT2A (0.55) TDP1MEN1KMT2AGAACA12
SCHEMBL18354616 0.76 TDP1 (0.45) TDP1MEN1KMT2AGAACA12
SCHEMBL18354060 0.76 TDP1 (0.43) TDP1MEN1KMT2AGAACA12
SCHEMBL30903258 0.76 MEN1 (0.45) TDP1MEN1KMT2AGAACA12
SCHEMBL17574265 0.75 TDP1 (0.50) TDP1MEN1KMT2AGAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523944-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING Mithridion, Inc. (US) 2012-11-21 EP disclosed
EP-2403340-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING Mithridion, Inc. (US) 2012-01-11 EP disclosed
WO-2011085406-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2011-07-14 WO disclosed
WO-2010102218-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2010-09-10 WO disclosed
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 WO disclosed