SCHEMBL8199752

SCHEMBL8199752

CC(C)(C)OC(=O)N=C(NC(=O)OCOC(=O)c1ccccc1)n1cccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ELANE P08246 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
SCHEMBL8199616 0.86 PCSK9 (0.30) PCSK9
SCHEMBL6764378 0.85 SYK (0.41) KMT2A
SCHEMBL8194924 0.85
SCHEMBL13221 0.81 RAB9A (0.32) PCSK9ELANEL3MBTL1
SCHEMBL8121 0.81 RAB9A (0.32) PCSK9ELANEL3MBTL1
SCHEMBL14135 0.81 RAB9A (0.32) PCSK9ELANEL3MBTL1
SCHEMBL8196578 0.80 NOS1 (0.34)
SCHEMBL8187355 0.80 MAPK1 (0.32) ADRB2ADRB1ADRB3TDP1HTR1A
SCHEMBL8199304 0.80 NOS1 (0.34) TSHR
SCHEMBL6764374 0.79 SYK (0.41) KMT2AL3MBTL1

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
WO-2000078723-A1 PROCESS FOR THE PREPARATION OF BUTOXYCARBONYLIMINO COMPOUNDS AND INTERMEDIATES THEREFOR GLAXO GROUP LIMITED (GB) 2000-12-28 WO disclosed