SCHEMBL19937113

SCHEMBL19937113

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
EZH2 Q15910 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
SCHEMBL19984611 0.91 GAA (0.46) GAATSHRPOLBKMT2AATM
SCHEMBL7508238 0.89 GAA (0.50) GAATSHRPOLBKMT2AATM
SCHEMBL12972581 0.89 GAA (0.50) GAATSHRPOLBKMT2AATM
SCHEMBL7708866 0.87 GAA (0.49) GAATSHRPOLBKMT2AATM
SCHEMBL31142 0.86 GAA (0.51) GAATSHRPOLBKMT2AATM
SCHEMBL25475352 0.85 GAA (0.47) GAATSHRPOLBKMT2AATM
SCHEMBL23871256 0.85 GAA (0.47) GAATSHRPOLBKMT2AATM
SCHEMBL7518780 0.84 GAA (0.46) GAATSHRPOLBKMT2AATM
SCHEMBL9617629 0.84 GAA (0.46) GAATSHRPOLBKMT2AATM
SCHEMBL26785335 0.83 GAA (0.49) GAATSHRPOLBKMT2AATM

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-2758462-B1 STABILIZING OF ORGANIC MATERIAL WITH AMINO-TRIAZINE BASED MANNICH-COMPOUNDS BOREALIS AG (AT) 2018-03-07 EP disclosed