SCHEMBL16731997

SCHEMBL16731997

CC(C)(C)OC(=O)NCCCC[C@](NO)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 6/20 0.45
DRD2 P14416 4/20 0.37
EPHX1 P07099 1/20 0.36
HTT P42858 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL16731989 0.96 MEN1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL29454707 0.81 DGAT1 (0.34) MEN1GAAKMT2AHTT
SCHEMBL23854313 0.79 TDP1 (0.62) TDP1MEN1GAAKMT2AMAOA
SCHEMBL29239948 0.78 TDP1 (0.54) TDP1MEN1GAAKMT2AMAOA
SCHEMBL29144384 0.78 TDP1 (0.54) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.78 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL30918591 0.77 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL10047109 0.76 TDP1 (0.68) TDP1MEN1GAAKMT2AMAOA
SCHEMBL8633552 0.76 TDP1 (0.63) TDP1MEN1GAAKMT2AMAOA
SCHEMBL27429325 0.76 TDP1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2876156-A1 New enzymes and method for preparing hydroxylated L-lysine or L-ornithine and analogs thereof COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-05-27 EP disclosed