Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27733745

CC(C)(C)OC=O.Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NC1CCNCC1

nearest known ligand 0.65

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 19/20 0.65
WNT3 P56703 6/20 0.65
BRD4 O60885 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49

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
SCHEMBL4616681 0.91 SFRP1 (0.70) SFRP1WNT3BRD4BRD2BRD3
SCHEMBL4619410 0.82 SFRP1 (0.57) SFRP1WNT3BRD4BRD2BRD3
Tert-Butyl Formate SCHEMBL28775035 0.82 SFRP1 (0.48) SFRP1WNT3BRD4BRD2BRD3
SCHEMBL4617124 0.81 SFRP1 (0.59) SFRP1WNT3BRD4BRD2BRD3
SCHEMBL4618174 0.80 SFRP1 (0.55) SFRP1WNT3BRD4BRD2BRD3
SCHEMBL4619287 0.80 ALDH1A1 (0.58) SFRP1WNT3BRD4BRD2BRD3
SCHEMBL4615963 0.79 ALDH1A1 (0.57) SFRP1WNT3BRD4BRD2BRD3
SCHEMBL4618018 0.79 SFRP1 (1.00) SFRP1WNT3
SCHEMBL4616993 0.79 SFRP1 (0.62) SFRP1WNT3BRD4BRD2BRD3
SCHEMBL4617483 0.78 SFRP1 (0.58) SFRP1WNT3BRD4BRD2BRD3

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-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN disclosed