Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27852878

CC(C)(C)OC=O.COc1nc(OC)c2cnn(C3CCNCC3)c2n1

nearest known ligand 0.38

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 14/20 0.38
▸ PLK4 O00444 2/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ PDE1C Q14123 2/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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 SCHEMBL28794668 0.78 ADA (0.39) PDE9APLK4PIK3CAMTORPDE1C
SCHEMBL1128611 0.75 CYP3A4 (0.54) PIK3CAMTORPIK3CGALDH1A1
Tert-Butyl Formate SCHEMBL27630985 0.74 EGFR (0.45) MEN1ALDH1A1KMT2A
Tert-Butyl Formate SCHEMBL27651256 0.74 CYP3A4 (0.39) PDE9APLK4PIK3CAMTORPDE1C
SCHEMBL27852877 0.74 CYP3A4 (0.38) PDE9APIK3CAMTORPDE1BPIK3CG
Tert-Butyl Formate SCHEMBL27773612 0.72 MTOR (0.54) PIK3CAMTORPIK3CG
Tert-Butyl Formate SCHEMBL28794487 0.71 TDP1 (0.35) MEN1ALDH1A1KMT2A
Tert-Butyl Formate SCHEMBL27797759 0.71 CHRNB2 (0.42) MEN1ALDH1A1KMT2A
Tert-Butyl Formate SCHEMBL28094448 0.68 TDP1 (0.48) MEN1ALDH1A1KMT2A
SCHEMBL4354264 0.66 CYP3A4 (0.41) PDE9APLK4PIK3CAMTORPDE1C

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-102036991-A GPR119 receptor agonists HOFFMANN LA ROCHE 2011-04-27 — — CN disclosed
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