SCHEMBL4047031

SCHEMBL4047031

COC(C)NCCNCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
ECE1 P42892 1/20 0.31
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 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
SCHEMBL4063978 0.98 EGLN1 (0.34) EGLN1ALDH1A1LMNAMAPTPTGS2
SCHEMBL19069934 0.84 ALDH1A1 (0.39) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL598206 0.81
SCHEMBL8664005 0.78 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL10988936 0.73 LMNA (0.44) EGLN1LMNATSHRCA1CA2
SCHEMBL163217 0.73 LMNA (0.44) EGLN1LMNATSHRCA1CA2
Water SCHEMBL4057424 0.71 LMNA (0.41) EGLN1LMNATSHRCA1CA2
SCHEMBL18160753 0.71 LMNA (0.41) EGLN1LMNATSHRCA1CA2
SCHEMBL6343644 0.71 LMNA (0.41) EGLN1LMNATSHRCA1CA2
SCHEMBL1684976 0.71 LMNA (0.41) EGLN1LMNATSHRCA1CA2

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
US-7481891-B2 Cigarette wrapper consisting of mandarin orange essential oil JAPAN TOBACCO INC. (JP) 2009-01-27 US disclosed