SCHEMBL29152173

SCHEMBL29152173

CC(C)(C)OC(=O)NCC=CO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSK P43235 3/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
EPHX1 P07099 1/20 0.38
HTT P42858 2/20 0.38
PTPN11 Q06124 1/20 0.37
CA7 P43166 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 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
SCHEMBL18262010 0.90 TDP1 (0.50) TDP1MEN1GAAKMT2ACTSK
SCHEMBL18487257 0.90 TDP1 (0.50) TDP1MEN1GAAKMT2ACTSK
SCHEMBL18262007 0.90 TDP1 (0.50) TDP1MEN1GAAKMT2ACTSK
SCHEMBL7722431 0.84 CTSK (0.51) TDP1MEN1GAAKMT2ACTSK
SCHEMBL16938997 0.84 TDP1 (0.46) TDP1MEN1GAAKMT2ACTSK
SCHEMBL14701547 0.84 CTSK (0.51) TDP1MEN1GAAKMT2ACTSK
SCHEMBL7722427 0.84 CTSK (0.51) TDP1MEN1GAAKMT2ACTSK
SCHEMBL2729549 0.83 TDP1 (0.42) TDP1MEN1GAAKMT2ACTSK
SCHEMBL15154078 0.83 TDP1 (0.42) TDP1MEN1GAAKMT2ACTSK
SCHEMBL15164738 0.83 TDP1 (0.42) TDP1MEN1GAAKMT2ACTSK

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
CN-117480175-A Fluorescent probe 东北泰克诺亚奇股份有限公司 2024-01-30 CN disclosed