SCHEMBL9617629

SCHEMBL9617629

CC(C(=O)OC1CC(C)(C)NC(C)(C)C1)N(C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C)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
SCHEMBL23871256 0.84 GAA (0.47) GAATSHRPOLBKMT2AATM
SCHEMBL12972581 0.84 GAA (0.50) GAATSHRPOLBKMT2AATM
SCHEMBL7508238 0.84 GAA (0.50) GAATSHRPOLBKMT2AATM
SCHEMBL19937113 0.84 GAA (0.50) GAATSHRPOLBKMT2AATM
SCHEMBL10739548 0.83 GAA (0.41) GAATSHR
SCHEMBL7708866 0.82 GAA (0.49) GAATSHRPOLBKMT2AATM
SCHEMBL31142 0.82 GAA (0.51) GAATSHRPOLBKMT2AATM
SCHEMBL8378424 0.82 GAA (0.40) GAATSHR
SCHEMBL25475352 0.81 GAA (0.47) GAATSHRPOLBKMT2AATM
SCHEMBL10736942 0.81 GAA (0.40) GAATSHRKMT2AHTT

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
JP-4253960-A None JP disclosed
JP-H04253960-A BETA-ALANINE DERIVATIVE MITSUBISHI PETROCHEM CO LTD 1992-09-09 JP disclosed