SCHEMBL25827504

SCHEMBL25827504

CC(C)(C)OC(=O)NCCCCC(=O)NCCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP3A4 P08684 1/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
EPHX2 P34913 3/20 0.50
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
ADRA1A P35348 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL3288412 0.98 TDP1 (0.61) TDP1MEN1GAAKMT2ACYP3A4
SCHEMBL23616304 0.98 TDP1 (0.61) TDP1MEN1GAAKMT2ACYP3A4
SCHEMBL6535307 0.98 TDP1 (0.61) TDP1MEN1GAAKMT2ACYP3A4
SCHEMBL9554443 0.95 TDP1 (0.57) TDP1MEN1GAAKMT2ACYP3A4
SCHEMBL28348827 0.94 TDP1 (0.54) TDP1MEN1GAAKMT2ACYP3A4
SCHEMBL904074 0.93 TDP1 (0.66) TDP1MEN1GAAKMT2ACYP3A4
SCHEMBL16061043 0.92 MEN1 (0.53) TDP1MEN1GAAKMT2ACYP3A4
SCHEMBL16487196 0.92 TDP1 (0.69) TDP1MEN1GAAKMT2ACYP3A4
SCHEMBL22276602 0.92 TDP1 (0.69) TDP1MEN1GAAKMT2ACYP3A4
SCHEMBL22276615 0.92 TDP1 (0.69) TDP1MEN1GAAKMT2ACYP3A4

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
WO-2023125792-A1 MULTI-SUBSTITUTED URACIL DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 杭州奥默医药股份有限公司 2023-07-06 WO disclosed