Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27768142

CC(C)(C)OC=O.CS(=O)(=O)c1ccc(NCc2csc(C3CCNCC3)n2)cc1

nearest known ligand 0.40

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
GHSR Q92847 9/20 0.35
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
ALOX12 P18054 3/20 0.35
BAZ2A Q9UIF9 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 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 SCHEMBL27789521 0.89 AOC3 (0.44) AOC3CCNT1CDK9GHSREPHA2
Tert-Butyl Formate SCHEMBL27973827 0.87 AOC3 (0.47) AOC3CCNT1CDK9EPHA2KDR
Tert-Butyl Formate SCHEMBL28784623 0.86 AOC3 (0.38) AOC3CCNT1CDK9EPHA2KDR
Tert-Butyl Formate SCHEMBL27789576 0.86 AOC3 (0.40) AOC3EPHA2KDREPHB4BAZ2A
Tert-Butyl Formate SCHEMBL27768398 0.84 GPR119 (0.44) AOC3EPHA2KDREPHB4BAZ2A
Tert-Butyl Formate SCHEMBL27768084 0.84 AOC3 (0.42) AOC3CCNT1CDK9EPHA2KDR
Tert-Butyl Formate SCHEMBL27768150 0.84 AOC3 (0.38) AOC3EPHA2KDREPHB4BAZ2A
Tert-Butyl Formate SCHEMBL27789525 0.83 AOC3 (0.40) AOC3CCNT1CDK9EPHA2KDR
Tert-Butyl Formate SCHEMBL27789538 0.83 AOC3 (0.38) AOC3GHSREPHA2KDREPHB4
Tert-Butyl Formate SCHEMBL27971425 0.81 AOC3 (0.51) AOC3EPHA2KDREPHB4BAZ2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101616586-B Heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS INC 2014-08-13 CN claimed
CN-101616586-B Heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS INC 2014-08-13 CN disclosed
CN-102026636-B Oxymethylene aryl compounds and uses thereof METABOLEX INC 2014-07-16 CN disclosed
CN-102026636-A Oxymethylene aryl compounds and uses thereof METABOLEX INC 2011-04-20 CN disclosed
CN-101616586-A The heterocyclic receptor agonists of treatment diabetes and metabolic disorder METABOLEX INC 2009-12-30 CN disclosed