SCHEMBL23765759

SCHEMBL23765759

CCCN(CC(=O)OCC)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.37
CA7 P43166 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TRPA1 O75762 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL18758783 0.90 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL15312506 0.89 SMN1; SMN2 (0.38) CA12CA1CA2CA9CA14
SCHEMBL1280292 0.89 SSTR4 (0.40) CA12CA1CA2CA9CA14
SCHEMBL2152971 0.87 CYP1A2 (0.40) CA12CA1CA2CA9CA14
SCHEMBL5786967 0.87 CA12 (0.37) CA12CA1CA2CA9CA14
SCHEMBL9055903 0.86 CA12 (0.34) CA12CA1CA2CA9CA14
SCHEMBL7204430 0.86 CA12 (0.41) CA12CA1CA2CA9CA14
SCHEMBL31022630 0.86 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL20379769 0.86 CA14 (0.38) CA12CA1CA2CA9CA14
SCHEMBL2217787 0.86 CA14 (0.43) CA12CA1CA2CA9CA14

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
EP-3865152-A1 TARGETED PROTEASE DEGRADATION PLATFORM Eubulus Biotherapeutics Inc. (CN) 2021-08-18 EP disclosed