SCHEMBL5032027

SCHEMBL5032027

O=CCCCCCCCCNCCCCCC(=O)OO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 4/20 0.40
PAOX Q6QHF9 3/20 0.38
CNR2 P34972 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 2/20 0.34
DGKA P23743 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL10989127 0.90 ALDH1A1 (0.44) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL4737590 0.88 HIF1A (0.41) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL8750702 0.82
SCHEMBL8661664 0.81 EPHX2 (0.41) ALDH1A1EPHX2HDAC6TSHR
SCHEMBL9644616 0.79 MAPT (0.52) LMNAEPHX2TSHRALOX15HSD17B10
SCHEMBL7034908 0.79 MAPT (0.52) LMNAEPHX2TSHRALOX15HSD17B10
SCHEMBL8645854 0.79 MAPT (0.52) LMNAEPHX2TSHRALOX15HSD17B10
SCHEMBL7201423 0.76 LMNA (0.68) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL8812283 0.76 LMNA (0.68) ALDH1A1LMNAEPHX2CNR2TSHR
SCHEMBL1976573 0.76 LMNA (0.68) ALDH1A1LMNAEPHX2CNR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954794-A2 STABLE ODORANT SYSTEMS The Procter and Gamble Company (US) 2008-08-13 EP disclosed
WO-2007060645-A2 STABLE ODORANT SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2007-05-31 WO disclosed