SCHEMBL28117145

SCHEMBL28117145

CCC=CC(=O)NC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
RECQL P46063 2/20 0.44
POLB P06746 3/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.40
EZH2 Q15910 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL26680173 0.87 GAA (0.46) GAARECQLPOLBHTTKMT2A
SCHEMBL26022714 0.83 POLB (0.35) GAAPOLBHTT
SCHEMBL108540 0.81 RECQL (0.47) GAARECQLPOLBHTTKMT2A
SCHEMBL108538 0.81 RECQL (0.47) GAARECQLPOLBHTTKMT2A
SCHEMBL26680180 0.80 POLB (0.56) GAARECQLPOLBHTTKMT2A
SCHEMBL3050149 0.80 POLB (0.56) GAARECQLPOLBHTTKMT2A
SCHEMBL23076115 0.77 POLB (0.55) GAAPOLBHTTKMT2AMEN1
SCHEMBL4424405 0.76 GAA (0.51) GAARECQLPOLBHTTKMT2A
SCHEMBL28402532 0.75 POLB (0.57) GAARECQLPOLBHTTKMT2A
SCHEMBL3299681 0.75 GAA (0.56) GAARECQLPOLBHTTKMT2A

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
CN-106221471-A Coating 东丽精细化工株式会社 2016-12-14 CN disclosed