SCHEMBL13504656

SCHEMBL13504656

CC(C)(C)OC(=O)/C=C/CCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
EPHX1 P07099 1/20 0.39
HTT P42858 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL28922732 0.92 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3464574 0.88 MAPT (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3464573 0.88 MAPT (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3464768 0.88 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5199651 0.87 MEN1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8892710 0.87 MEN1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7435598 0.86 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8411414 0.86 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3462865 0.83 TDP1 (0.57) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3462867 0.83 TDP1 (0.57) TDP1MEN1GAAKMT2AMAOA

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-2111391-B9 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2013-05-29 EP claimed
EP-2111391-B1 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2012-10-31 EP claimed