Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28840344

CC(C)(C)OC=O.COc1cc(Br)ccc1N1CCNCC1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.48
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3A P46098 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
ADRB1 P08588 1/20 0.48
DRD2 P14416 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTR7 P34969 1/20 0.46
HTR4 Q13639 1/20 0.46
ALDH1A1 P00352 1/20 0.44
ALDH1A3 P47895 1/20 0.44
BACE1 P56817 1/20 0.42

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
SCHEMBL4190135 0.87 HTR6 (0.61) HTR6HTR3EHTR3BHTR3AHTR3D
Tert-Butyl Formate SCHEMBL28258283 0.86 HTR6 (0.38) HTR6HTR3EHTR3BHTR3AHTR3D
Tert-Butyl Formate SCHEMBL28334261 0.85 HTR3A (0.48) HTR6HTR3EHTR3BHTR3AHTR3D
Tert-Butyl Formate SCHEMBL28258175 0.78 CHRNB2 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Tert-Butyl Formate SCHEMBL27859337 0.78 ADRB1 (0.47) HTR6HTR3EHTR3BHTR3AHTR3D
Tert-Butyl Formate SCHEMBL28112679 0.78 HTR6 (0.44) HTR6HTR3EHTR3BHTR3AHTR3D
Tert-Butyl Formate SCHEMBL27621449 0.77 KDR (0.41) HTR6HTR3EHTR3BHTR3AHTR3D
Tert-Butyl Formate SCHEMBL27824904 0.76 ADRB1 (0.50) HTR6HTR3EHTR3BHTR3AHTR3D
Tert-Butyl Formate SCHEMBL25389058 0.76 NCF1 (0.74) HTR6DRD3HTR7
SCHEMBL14009665 0.76 HTR3E (0.68) HTR6HTR3EHTR3BHTR3AHTR3D

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-106459044-A Tank-binding kinase inhibitor compounds 吉利德科学公司 2017-02-22 CN disclosed