Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28065015

CC(C)(C)OC=O.CC=C1CCNC(c2ccc(C(=O)OC)cc2)C1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
ATM Q13315 2/20 0.36
GLA P06280 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 2/20 0.33
MAPKAPK2 P49137 1/20 0.33

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 SCHEMBL28828186 0.87 MEN1 (0.42) MEN1KMT2AHTTALDH1A1KDM4E
Tert-Butyl Formate SCHEMBL28065024 0.86 MEN1 (0.44) MEN1KMT2AHTTALDH1A1KDM4E
Tert-Butyl Formate SCHEMBL28014694 0.76 HTT (0.41) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL25076838 0.73 MEN1 (0.48) MEN1KMT2AHTTALDH1A1KDM4E
Tert-Butyl Formate SCHEMBL27512007 0.72 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ATMNPC1
Tert-Butyl Formate SCHEMBL28065019 0.70 PRCP (0.31) TDP1
Tert-Butyl Formate SCHEMBL28824582 0.69 HTT (0.38) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL29328399 0.69 HTT (0.50) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL31248558 0.68 NR1H2 (0.43) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL31248547 0.68 NR1H2 (0.43) MEN1KMT2AHTTALDH1A1TP53

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-105579444-A Piperidinylindole derivatives and their use as complement factor B inhibitors NOVARTIS AG 2016-05-11 CN disclosed