SCHEMBL18985138

SCHEMBL18985138

CC(C)(C)OC(=O)NOC(=O)CCO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 5/20 0.41
CA14 Q9ULX7 4/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 4/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 1/20 0.36
CTSK P43235 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
APLNR P35414 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL7119549 0.89 TDP1 (0.50) TDP1CA12CA14CA2CA1
SCHEMBL377844 0.85 ALDH1A1 (0.41) TDP1CA12CA14CA2CA1
SCHEMBL28346521 0.84 TDP1 (0.43) TDP1CA12CA14CA2CA1
SCHEMBL28919419 0.81 CTSK (0.41) TDP1CA12CA14CA2CA1
SCHEMBL28609056 0.81 CTSK (0.36) TDP1CA12CA14CA2CA1
SCHEMBL1638343 0.81 CTSK (0.43) TDP1CA12CA14CA2CA1
SCHEMBL28363958 0.81 TSHR (0.54) TDP1CA12CA14CA2CA1
SCHEMBL7118231 0.80 CTSK (0.40) TDP1CA12CA14CA2CA1
SCHEMBL4653239 0.80 DGKA (0.43) TDP1CA12CA14CA1CA7
SCHEMBL28651273 0.80 HDAC4 (0.40) TDP1CA12CA14CA2CA1

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-2017101851-A1 ACYLSULFONAMIDE DERIVATIVES FOR TREATING SENESCENCE-ASSOCIATED DISEASES AND DISORDERS UNITY BIOTECHNOLOGY, INC. (US) 2017-06-22 WO disclosed