SCHEMBL4960656

SCHEMBL4960656

CC(CC(=O)O)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.36
REN P00797 1/20 0.33
ACE P12821 1/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 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
SCHEMBL4960651 0.88 GAA (0.40) GAAHTTCYP2D6LMNATSHR
SCHEMBL12368549 0.84 GAA (0.42) GAAHTTCYP2D6LMNATSHR
SCHEMBL26083008 0.83 GAA (0.41) GAAHTTCYP2D6LMNATSHR
SCHEMBL16790838 0.83 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL19937282 0.83 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL19884609 0.82 GAA (0.36) GAAHTTCYP2D6LMNA
SCHEMBL19884574 0.82 GAA (0.36) GAAHTTCYP2D6LMNA
SCHEMBL20739517 0.82 GAA (0.40) GAAHTTCYP2D6LMNATSHR
SCHEMBL13554332 0.81 GAA (0.36) GAAHTTCYP2D6LMNATSHR
SCHEMBL7506112 0.80 GAA (0.46) GAAHTTCYP2D6LMNATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095006-B1 DERIVATIVES OF 1-OXYL-4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINE AS POLYMERIZATION INHIBITORS FOR (METH) ACRYLATE MONOMERS CIBA HOLDING INC (CH) 2008-12-24 EP claimed
EP-1095006-B1 DERIVATIVES OF 1-OXYL-4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINE AS POLYMERIZATION INHIBITORS FOR (METH) ACRYLATE MONOMERS CIBA HOLDING INC (CH) 2008-12-24 EP disclosed