SCHEMBL28520852

SCHEMBL28520852

CC(C)(C)OC(=O)NCCOCCCCOS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 10/20 0.46
CA2 P00918 10/20 0.46
CA12 O43570 7/20 0.46
CA9 Q16790 7/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
EPHX1 P07099 1/20 0.40
TLR2 O60603 1/20 0.38
TLR1 Q15399 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
SCHEMBL26641014 0.96 TDP1 (0.45) TDP1CA1CA2CA12CA9
SCHEMBL21070840 0.91 TDP1 (0.50) TDP1CA1CA2CA12CA9
SCHEMBL31395837 0.91 CA1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL21070189 0.91 CA1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL14745412 0.91 CA1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL14740858 0.91 CA1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL21070363 0.91 CA1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL15969366 0.91 CA1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL14744716 0.91 CA1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL499627 0.91 CA1 (0.46) TDP1CA1CA2CA12CA9

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-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed