Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27876352

CC(=O)N1CCc2cc(CCN3CCNCC3)ccc21.CC(C)(C)OC=O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NOTUM Q6P988 5/20 0.43
LMNA P02545 4/20 0.42
SLC6A4 P31645 1/20 0.41
TRIM24 O15164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL3789114 0.90 NOTUM (0.52) POLBNOTUMLMNASLC6A4KDM4E
SCHEMBL15721520 0.83 NOTUM (0.50) POLBNOTUMLMNAKDM4EALDH1A1
SCHEMBL27876294 0.80 TP53 (0.53) POLBLMNASLC6A4MAPTTP53
SCHEMBL948848 0.79 ALDH1A1 (0.52) POLBRXFP1NOTUMLMNAKDM4E
SCHEMBL945154 0.76 NOTUM (0.51) POLBNOTUMLMNAKDM4EALDH1A1
Tert-Butyl Formate SCHEMBL27768427 0.75 SIGMAR1 (0.51) SLC6A4
SCHEMBL931075 0.72 SIGMAR1 (0.48) SLC6A4
SCHEMBL8569157 0.72 NOTUM (0.61) POLBNOTUMLMNAKDM4EALDH1A1
SCHEMBL13020232 0.72 NOTUM (0.61) POLBNOTUMLMNATRIM24KDM4E
SCHEMBL27781919 0.71 ALDH1A1 (0.53) NOTUMKDM4EALDH1A1HPGDMAPT

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-102482264-A 2-carbamoyl-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB 2012-05-30 CN disclosed