SCHEMBL6579636

SCHEMBL6579636

CCCCN1CCCCC1(O)CC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR4 O95977 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL7047203 0.80
SCHEMBL11304840 0.76 S1PR1 (0.39) S1PR1S1PR3S1PR5S1PR4L3MBTL1
SCHEMBL5585859 0.76 SIGMAR1 (0.31) SIGMAR1
SCHEMBL19527609 0.75 SIGMAR1 (0.33) S1PR1S1PR3S1PR5S1PR4L3MBTL1
SCHEMBL2167978 0.74 HSD11B1 (0.35)
SCHEMBL28700224 0.74
SCHEMBL949468 0.74 L3MBTL1 (0.36) S1PR1S1PR3S1PR5S1PR4L3MBTL1
SCHEMBL5585691 0.72 SIGMAR1 (0.31) SIGMAR1
SCHEMBL5585819 0.71
SCHEMBL23251421 0.71 S1PR1 (0.31) S1PR1S1PR3S1PR5S1PR4SIGMAR1

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-1412314-A1 INSECT REPELLENT FULLTEC AG (CH) 2004-04-28 EP disclosed
WO-2003011805-A1 INSECT REPELLENT FULLTEC AG (CH) 2003-02-13 WO disclosed