SCHEMBL8633552

SCHEMBL8633552

CC(C)(C)OC(=O)NCCCCCCC(O)(C(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CA12 O43570 6/20 0.51
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA9 Q16790 6/20 0.51
DRD2 P14416 4/20 0.44
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL8634208 0.93 MEN1 (0.58) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8633773 0.92 MEN1 (0.57) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8634602 0.91 TDP1 (0.56) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8630900 0.87 TDP1 (0.52) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8633229 0.86 MEN1 (0.53) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8630894 0.86 TDP1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL8633719 0.84 MEN1 (0.53) TDP1MEN1KMT2AGAAMAOA
SCHEMBL136815 0.84 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA
SCHEMBL137629 0.84 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA
SCHEMBL134329 0.84 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA

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
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US claimed