SCHEMBL11211976

SCHEMBL11211976

CC(O)CN(CC(C)O)C(=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ACR P10323 1/20 0.31

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
SCHEMBL10991842 0.85 CA1 (0.39) CA12CA1CA2CA9ACR
SCHEMBL1315917 0.80 CA12 (0.36) CA12CA1CA2CA9ACR
SCHEMBL30918641 0.77
SCHEMBL1260015 0.74 TSHR (0.34) CA12CA1CA2CA9ACR
SCHEMBL4572780 0.74 CA1 (0.39) CA12CA1CA2CA9ACR
SCHEMBL17870797 0.72 TP53 (0.38) CA12CA1CA2CA9ACR
SCHEMBL6061789 0.72 CA12 (0.37) CA12CA1CA2CA9ACR
SCHEMBL5475298 0.72 TP53 (0.38) CA12CA1CA2CA9ACR
SCHEMBL7766475 0.71 TDP1 (0.31) CA12CA1CA2CA9
SCHEMBL7562825 0.71 ALDH1A1 (0.32) CA12CA1CA2CA9ACR

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-0002616-B1 OXAMIDE DERIVATIVES, THEIR USE IN STABILIZING ORGANIC MATERIALS AND STABILIZED ORGANIC MATERIALS CONTAINING THE SAID OXAMIDE DERIVATIVES UNIROYAL, INC. (US) 1983-03-30 EP disclosed