SCHEMBL7708866

SCHEMBL7708866

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.30
EZH2 Q15910 1/20 0.30

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
SCHEMBL19937113 0.87 GAA (0.50) GAATSHRLMNANR1I2ABCB11
SCHEMBL12972581 0.87 GAA (0.50) GAATSHRLMNANR1I2ABCB11
SCHEMBL7508238 0.87 GAA (0.50) GAATSHRLMNANR1I2ABCB11
SCHEMBL31142 0.85 GAA (0.51) GAATSHRLMNANR1I2ABCB11
SCHEMBL25475352 0.84 GAA (0.47) GAATSHRPOLBKMT2AATM
SCHEMBL23871256 0.84 GAA (0.47) GAATSHRPOLBKMT2AATM
SCHEMBL9617629 0.82 GAA (0.46) GAATSHRPOLBKMT2AATM
SCHEMBL19984611 0.82 GAA (0.46) GAATSHRPOLBKMT2AATM
SCHEMBL7518780 0.82 GAA (0.46) GAATSHRPOLBKMT2AATM
SCHEMBL8211354 0.82 GAA (0.36) GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355713-B1 THERMOPLASTIC RESINS ARE STABILIZED WITH B-ENAMINES OR DERIVATIVES OF ALCOHOLS,SUGARS, SUGAR ALCOHOLS, GLYCOSIDES AND OLIGOSACCHARIDES; DISCOLORATION INHIBITION AKCROS, CHEMICALS (GB) 2002-03-12 US disclosed
EP-0986605-A1 BETA-KETOESTERS FOR USE AS POLYMER STABILISERS AKCROS CHEMICALS (GB) 2000-03-22 EP disclosed
WO-1998054246-A1 β-KETOESTERS FOR USE AS POLYMER STABILISERS AKCROS CHEMICALS (GB) 1998-12-03 WO disclosed
EP-0881253-A1 B-ketoesters for use as polymer stabilisers AKCROS CHEMICALS (GB) 1998-12-02 EP disclosed