Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28290495

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

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 2/20 0.37
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 7/20 0.36
CYP3A4 P08684 7/20 0.36
TSHR P16473 4/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 2/20 0.35
USP2 O75604 3/20 0.35
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 SCHEMBL27941685 0.88 TPSAB1 (0.43) TPSAB1TPSD1TPSG1TDP1GAA
Tert-Butyl Formate SCHEMBL27836174 0.88 TPSAB1 (0.42) TPSAB1TPSD1TPSG1TDP1GAA
Tert-Butyl Formate SCHEMBL27952866 0.88 TPSAB1 (0.39) TPSAB1TPSD1TPSG1TDP1GAA
SCHEMBL275988 0.84 TPSAB1 (0.51) TPSAB1TPSD1TPSG1ALDH1A1CYP1A2
Tert-Butyl Formate SCHEMBL27799396 0.84 TDP1 (0.39) TPSAB1TPSD1TPSG1TDP1GAA
Tert-Butyl Formate SCHEMBL28060563 0.82 GAA (0.43) TPSAB1TPSD1TPSG1TDP1GAA
Hydrochloric Acid SCHEMBL18167985 0.82 TPSAB1 (0.50) TPSAB1TPSD1TPSG1ALDH1A1CYP1A2
Tert-Butyl Formate SCHEMBL28060590 0.81 NAMPT (0.42) TPSAB1TPSD1TPSG1TDP1GAA
Tert-Butyl Formate SCHEMBL28785798 0.81 GAA (0.40) TPSAB1TPSD1TPSG1TDP1GAA
Tert-Butyl Formate SCHEMBL27779822 0.80 GAA (0.36) TPSAB1TPSD1TPSG1TDP1GAA

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