SCHEMBL9621020

SCHEMBL9621020

C#CC(I)OC(=O)CCC(=O)OC(I)C#C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6559858 0.92 LMNA (0.39) CYP2D6NFKB1LMNAMAPTTSHR
SCHEMBL9358666 0.88 ELANE (0.35)
SCHEMBL7629357 0.77
SCHEMBL9817390 0.76 ESR1 (0.40) CYP2D6NFKB1LMNAMAPTTSHR
SCHEMBL9353160 0.76
SCHEMBL5865960 0.75
SCHEMBL9481776 0.74 CNR1 (0.32)
SCHEMBL9479995 0.74 MGLL (0.31)
SCHEMBL9817271 0.74 CYP4F2 (0.39) MAPT
SCHEMBL943375 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2180848-A None JP disclosed
EP-0359442-A3 MONO-IODOPROPARGYL ESTERS OF DICARBOXYLIC ANHYDRIDES AND THEIR USE AS ANTIMICROBIAL AGENTS LONZA INC. (US) 1992-01-02 EP disclosed
US-5073570-A MONO-IODOPROPARGYL ESTERS OF DICARBOXYLIC ANHYDRIDES AND THEIR USE AS ANTIMICROBIAL AGENTS LONZA INC. (US) 1991-12-17 US disclosed
JP-H02180848-A ANTIBACTERIAL COMPOUND LONZA INC 1990-07-13 JP disclosed
EP-0359442-A2 Mono-iodopropargyl esters of dicarboxylic anhydrides and their use as antimicrobial agents LONZA INC. (US) 1990-03-21 EP disclosed