Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28064515

CC(C)(C)OC=O.[N-]=[N+]=N[C@@H]1CNCC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.41
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SSTR4 P31391 3/20 0.38
SSTR1 P30872 2/20 0.38
TSHR P16473 1/20 0.37
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
ITGAV P06756 1/20 0.36
NAAA Q02083 1/20 0.36

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 SCHEMBL28064516 1.00 CPB1 (0.41) CPB1ITGB3ITGA2BALDH1A1GAA
Tert-Butyl Formate SCHEMBL28064537 1.00 CPB1 (0.41) CPB1ITGB3ITGA2BALDH1A1GAA
SCHEMBL16683508 0.91 ALDH1A1 (0.46) CPB1ALDH1A1GAATSHRCTSB
SCHEMBL27910872 0.87 SSTR4 (0.39) SSTR4SSTR1CTSL
Tert-Butyl Formate SCHEMBL28064547 0.84 CPB1 (0.45) CPB1ITGB3ITGA2BALDH1A1GAA
Tert-Butyl Formate SCHEMBL28064545 0.84 CPB1 (0.45) CPB1ITGB3ITGA2BALDH1A1GAA
Tert-Butyl Formate SCHEMBL28064433 0.83 CPB1 (0.47) CPB1ITGB3ITGA2BALDH1A1GAA
Tert-Butyl Formate SCHEMBL28064435 0.83 CPB1 (0.47) CPB1ITGB3ITGA2BALDH1A1GAA
Tert-Butyl Formate SCHEMBL28112834 0.81 ALDH1A1 (0.51) CPB1ITGB3ITGA2BALDH1A1GAA
Tert-Butyl Formate SCHEMBL28112836 0.81 ALDH1A1 (0.51) CPB1ITGB3ITGA2BALDH1A1GAA

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-105658642-A Fibroblast growth factor receptor inhibitors 蓝图药品公司 2016-06-08 CN disclosed