Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28290445

CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)OC=O

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.39
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHKA P35790 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GAA P10253 1/20 0.33
RIPK1 Q13546 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32

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 SCHEMBL28060489 0.85 TDP1 (0.45) TDP1HPGDCA2CA12CA1
SCHEMBL10683 0.84 CA2 (0.48) HPGDCA2CA12CA1CA9
Tert-Butyl Formate SCHEMBL27722072 0.83 TDP1 (0.43) TDP1HPGDCA2CA12CA1
Hydrochloric Acid SCHEMBL3180234 0.82 HPGD (0.47) HPGDCA2CA12CA1CA9
Tert-Butyl Formate SCHEMBL27838561 0.81 TDP1 (0.41) TDP1HPGDCA2CA12CA1
Tert-Butyl Formate SCHEMBL28060441 0.81 TDP1 (0.41) TDP1HPGDCA2CA12CA1
Tert-Butyl Formate SCHEMBL27836174 0.81 TPSAB1 (0.42) TDP1HPGDCA2CA12CA1
Tert-Butyl Formate SCHEMBL28827129 0.81 POLB (0.46) TDP1HPGDCA2CA12CA1
Tert-Butyl Formate SCHEMBL27838577 0.80 CHRNB2 (0.64) TDP1HPGDMEN1KMT2ACHRNB2
Tert-Butyl Formate SCHEMBL27878208 0.79 TDP1 (0.50) TDP1HPGDSIGMAR1

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-109563092-A It can be used as the 2- phenylimidazole of the active inhibitor of mammal tyrosine kinase ROR1 simultaneously [4,5-B] pyridine -7- amine derivative 坎塞拉有限公司 2019-04-02 CN disclosed