SCHEMBL19984611

SCHEMBL19984611

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 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 0.91 GAA (0.50) GAATSHRPOLBKMT2AATM
SCHEMBL31142 0.89 GAA (0.51) GAATSHRPOLBKMT2AATM
SCHEMBL7508238 0.84 GAA (0.50) GAATSHRPOLBKMT2AATM
SCHEMBL12972581 0.84 GAA (0.50) GAATSHRPOLBKMT2AATM
SCHEMBL7708866 0.82 GAA (0.49) GAATSHRPOLBKMT2AATM
SCHEMBL23871256 0.81 GAA (0.47) GAATSHRPOLBKMT2AATM
SCHEMBL25475352 0.81 GAA (0.47) GAATSHRPOLBKMT2AATM
SCHEMBL17643678 0.80 GAA (0.41) GAATSHR
SCHEMBL7518780 0.79 GAA (0.46) GAATSHRPOLBKMT2AATM
SCHEMBL9617629 0.79 GAA (0.46) 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-2997109-B1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed