SCHEMBL4063978

SCHEMBL4063978

COC(C)NCCNCC(=O)O.[Na].[Na]

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.34
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.31
ECE1 P42892 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
SCHEMBL4047031 0.98 EGLN1 (0.35) EGLN1CA1CA2ALDH1A1LMNA
SCHEMBL19069934 0.82 ALDH1A1 (0.39) CA1CA2ALDH1A1LMNAMAPT
SCHEMBL598206 0.80
SCHEMBL8664005 0.76 ALDH1A1 (0.38) CA1CA2ALDH1A1LMNAMAPT
SCHEMBL10988936 0.72 LMNA (0.44) EGLN1CA1CA2LMNATSHR
SCHEMBL163217 0.72 LMNA (0.44) EGLN1CA1CA2LMNATSHR
Water SCHEMBL4057424 0.70 LMNA (0.41) EGLN1CA1CA2LMNATSHR
SCHEMBL6343644 0.70 LMNA (0.41) EGLN1CA1CA2LMNATSHR
SCHEMBL1684976 0.70 LMNA (0.41) EGLN1CA1CA2LMNATSHR
SCHEMBL1644077 0.70 LMNA (0.41) EGLN1CA1CA2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1336345-B1 PERFUME COMPOSITIONS FOR DEODORIZING TOBACCO, TOBACCO DEODORIZING AGENTS AND CIGARETTE AND TOBACCO PACKAGES WITH LITTLE SIDE SMOKE FLOW ODOR JAPAN TOBACCO INC (JP) 2009-10-21 EP disclosed
EP-1336346-B1 DEODORANT COMPOSITION FOR TOBACCO ODOR, DEODORANT FOR TOBACCO ODOR, AND CIGARETTE AND TOBACCO PACKAGE REDUCED IN SECONDARY SMOKE ODOR JAPAN TOBACCO INC (JP) 2008-10-08 EP disclosed
EP-1336346-A1 DEODORANT COMPOSITION FOR TOBACCO ODOR, DEODORANT FOR TOBACCO ODOR, AND CIGARETTE AND TOBACCO PACKAGE REDUCED IN SECONDARY SMOKE ODOR JAPAN TOBACCO INC. (JP) 2003-08-20 EP disclosed