Sugi Predict

Sugi Predict / Compounds / Tert-Butyl Formate

Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27862147

CC(C)(C)OC=O.CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3=CC=NCC3)cc2c1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 11/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31

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 SCHEMBL27862135 0.77 PLAT (0.38) SCN9A
SCHEMBL1459990 0.75 PTGS2 (0.39) SCN9APTGDR2
SCHEMBL1460224 0.75 CDK9 (0.42) —
SCHEMBL1463322 0.74 ATR (0.33) SCN9APTGDR2
SCHEMBL1460048 0.74 ULK1 (0.37) SCN9APTGDR2
SCHEMBL1459178 0.71 PTGDR2 (0.36) PTGDR2
SCHEMBL1460149 0.71 TRPA1 (0.37) SCN9APTGDR2
SCHEMBL1459964 0.69 PTGDR2 (0.36) SCN9APTGDR2
SCHEMBL1460337 0.68 CLK2 (0.40) PTGDR2
SCHEMBL1460041 0.68 CYP3A4 (0.37) SCN9APTGDR2

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-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 — — CN disclosed