Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28099269

CC(C)(C)OC=O.CCOc1ccccc1O[C@@H]1CCCNC1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.41
HTR1A P08908 3/20 0.41
HTR2A P28223 4/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
DGAT2 Q96PD7 5/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ROCK1 Q13464 1/20 0.38

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 SCHEMBL28099271 1.00 SLC6A2 (0.41) SLC6A2HTR1AHTR2ASLC6A4SLC6A3
SCHEMBL17077451 0.88 SLC6A2 (0.50) SLC6A2HTR1AHTR2ASLC6A4SLC6A3
SCHEMBL17077450 0.88 SLC6A2 (0.50) SLC6A2HTR1AHTR2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL23582983 0.87 SLC6A2 (0.49) SLC6A2HTR1AHTR2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL17077567 0.87 SLC6A2 (0.49) SLC6A2HTR1AHTR2ASLC6A4SLC6A3
Tert-Butyl Formate SCHEMBL28277465 0.85 HTR2C (0.46) SLC6A2HTR1ASLC6A4SLC6A3HTR2B
Tert-Butyl Formate SCHEMBL27772363 0.83 SLC6A4 (0.41) SLC6A4
Tert-Butyl Formate SCHEMBL27772364 0.83 SLC6A4 (0.41) SLC6A4
Cadaverine Tartrate SCHEMBL17077538 0.80 SLC6A2 (0.43) SLC6A2HTR1AHTR2ASLC6A4SLC6A3
Cadaverine Tartrate SCHEMBL17077537 0.80 SLC6A2 (0.43) SLC6A2HTR1AHTR2ASLC6A4SLC6A3

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-106103425-A Diacylglycerol acyltransferase 2 inhibitors for the treatment of metabolic and related disorders 辉瑞公司 2016-11-09 CN disclosed