Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28265181

CC(C)(C)OC=O.FC(F)(F)c1csc(N2CCNCC2)n1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.43
LMNA P02545 1/20 0.41
ADRB1 P08588 1/20 0.40
BAZ2A Q9UIF9 5/20 0.40
AOC3 Q16853 1/20 0.38
ADRB2 P07550 3/20 0.37
ADRA2A P08913 1/20 0.37
HTR2C P28335 1/20 0.37
AXL P30530 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
LCAT P04180 2/20 0.37
SCN4A P35499 1/20 0.37
SCN9A Q15858 1/20 0.37
PIM1 P11309 1/20 0.36
SPR P35270 1/20 0.35
EPHX2 P34913 1/20 0.35

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
Tert-Butyl Formate SCHEMBL28264027 0.90 LMNA (0.52) OGALMNABAZ2AAOC3SCN4A
SCHEMBL2826722 0.84 ADRB1 (0.49) OGALMNAADRB1BAZ2AAOC3
Hydrochloric Acid SCHEMBL2273378 0.83 ADRB1 (0.48) OGALMNAADRB1BAZ2AAOC3
Tert-Butyl Formate SCHEMBL27808996 0.83 AOC3 (0.39) LMNABAZ2AAOC3SCN4ASCN9A
Tert-Butyl Formate SCHEMBL28265216 0.81 OGA (0.43) OGALMNABAZ2AAOC3SCN4A
Tert-Butyl Formate SCHEMBL27767995 0.80 AOC3 (0.48) OGABAZ2AAOC3
Tert-Butyl Formate SCHEMBL27789530 0.80 AOC3 (0.46) LMNABAZ2AAOC3
Tert-Butyl Formate SCHEMBL27698726 0.79 HTR6 (0.44) LMNAHTR6
Tert-Butyl Formate SCHEMBL27698695 0.77 ALDH1A1 (0.57) ADRB1BAZ2A
Tert-Butyl Formate SCHEMBL27981868 0.77 ADRB2 (0.45) ADRB1ADRB2HTR2CEPHX2

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-109071526-A The acid-addition salts of bridged piperazine derivatives 阿森纽荣股份公司 2018-12-21 CN disclosed