Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27799795

CC(C)(C)OC=O.CC(CCCBr)C(=O)Nc1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALPL P05186 3/20 0.39
CA12 O43570 1/20 0.36
TP53 P04637 2/20 0.35
LTB4R Q15722 1/20 0.35
RAF1 P04049 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
ACR P10323 1/20 0.32
FFAR2 O15552 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4430204 0.90 MAPT (0.45) MAPTALPLCA12TP53LTB4R
SCHEMBL4434945 0.81 MAPT (0.49) MAPTALPLTP53LTB4RALDH1A1
Tert-Butyl Formate SCHEMBL27799800 0.78 MAPK1 (0.33) MAPTALDH1A1HPGDHSD17B10GAA
SCHEMBL1856722 0.73 MAPT (0.38) MAPTLTB4RALDH1A1SMN1; SMN2LMNA
SCHEMBL1857435 0.73 MAPT (0.43) MAPTALPLCA12
SCHEMBL1855665 0.72 CHRNA7 (0.46) MAPT
Tert-Butyl Formate SCHEMBL27799796 0.69 MAPT (0.46) MAPTALPLCA12TP53ALDH1A1
SCHEMBL29331221 0.69 GPR142 (0.45) MAPTALPLCA12TP53RAF1
SCHEMBL4063308 0.67 ALPL (0.41) MAPTALPLCA12RAF1ALDH1A1
SCHEMBL1144178 0.65 ALPL (0.54) MAPTALPLCA12TP53ACR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN disclosed