SCHEMBL29664449

SCHEMBL29664449

COc1cc(CC(=O)NC(C)(C)C)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MAPK8 P45983 1/20 0.48
GLS O94925 2/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TAS2R8 Q9NYW2 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
P2RX7 Q99572 1/20 0.42
TACR1 P25103 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL19133623 0.83 CA1 (0.59) L3MBTL1CA1CA2POLBSMN1; SMN2
SCHEMBL29907960 0.82 MAPK8 (0.54) L3MBTL1CA1CA2MAPK8GLS
SCHEMBL8838392 0.80 L3MBTL1 (0.53) L3MBTL1MAPK8GLSHTTKMT2A
SCHEMBL28706052 0.79 LMNA (0.49) L3MBTL1CA1CA2HTTKMT2A
SCHEMBL13543196 0.77 CYP24A1 (0.50) L3MBTL1MAPK8GLSKMT2APOLB
SCHEMBL348963 0.76 HSP90AB1 (0.62) L3MBTL1MAPK8GLSKMT2APOLB
SCHEMBL21672231 0.75 KMT2A (0.53) L3MBTL1CA1CA2MAPK8KMT2A
SCHEMBL11763680 0.75 HTT (0.45) L3MBTL1MAPK8GLSHTTKMT2A
SCHEMBL2552724 0.74 MTNR1A (0.48) L3MBTL1MAPK8GLSKMT2APOLB
SCHEMBL1162659 0.74 ALDH1A1 (0.48) L3MBTL1MAPK8GLSKMT2APOLB

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
CN-114539100-A Terbutaline derivative D and preparation method and application thereof 嘉实(湖南)医药科技有限公司 2022-05-27 CN claimed
CN-114539100-A Terbutaline derivative D and preparation method and application thereof 嘉实(湖南)医药科技有限公司 2022-05-27 CN disclosed