SCHEMBL9353154

SCHEMBL9353154

O=C(CNC(=O)OCC#CI)OCC#CI

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8049493 0.89 TET2 (0.41) GAAALDH1A1HSD17B10
SCHEMBL9353138 0.85 EGLN1 (0.36) ALDH1A1
SCHEMBL9480027 0.84 TDP1 (0.39) GAAALDH1A1
SCHEMBL9481781 0.83 GAA (0.33) GAA
SCHEMBL9353452 0.82 ACHE (0.46)
SCHEMBL9480089 0.81 LMNA (0.50) ALDH1A1
SCHEMBL9480116 0.80 GAA (0.42) GAAALDH1A1
SCHEMBL9479997 0.79
SCHEMBL7573517 0.78 CHRNB2 (0.40) ALDH1A1
SCHEMBL677163 0.76 ACHE (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490566-B1 Preparation and use of N-iodopropargyl oxycarbonyl amino acid esters and derivatives as antimicrobial agents ROHM & HAAS (US) 1994-10-12 EP claimed
US-5209930-A PREPARATION AND USE OF N-IODOPROPARGYL OXYCARBONYL AMINO ACID ESTERS AND DERIVATIVES AS ANTIMICROBIAL AGENTS ROHM AND HAAS COMPANY (US) 1993-05-11 US claimed
EP-0490566-A1 Preparation and use of N-iodopropargyl oxycarbonyl amino acid esters and derivatives as antimicrobial agents ROHM AND HAAS COMPANY (US) 1992-06-17 EP claimed
EP-0490566-B1 Preparation and use of N-iodopropargyl oxycarbonyl amino acid esters and derivatives as antimicrobial agents ROHM & HAAS (US) 1994-10-12 EP disclosed
US-5209930-A PREPARATION AND USE OF N-IODOPROPARGYL OXYCARBONYL AMINO ACID ESTERS AND DERIVATIVES AS ANTIMICROBIAL AGENTS ROHM AND HAAS COMPANY (US) 1993-05-11 US disclosed
EP-0490566-A1 Preparation and use of N-iodopropargyl oxycarbonyl amino acid esters and derivatives as antimicrobial agents ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed