SCHEMBL6690746

SCHEMBL6690746

CCCCCCOCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
THRB P10828 3/20 0.41
THRA P10827 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CES2 O00748 1/20 0.38
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL5935795 1.00 LTA4H (0.49) LTA4HTHRBTHRATSHRMAPT
SCHEMBL3307520 0.98 LTA4H (0.46) LTA4HTHRBTHRATSHRMAPT
SCHEMBL5935796 0.98 LTA4H (0.50) LTA4HTHRBTHRATSHRMAPT
SCHEMBL3308645 0.96 LTA4H (0.47) LTA4HTHRBTHRATSHRMAPT
SCHEMBL3303147 0.92 TSHR (0.47) LTA4HTHRBTHRATSHRMAPT
SCHEMBL2494566 0.90 TSHR (0.44) LTA4HTHRBTHRATSHRMAPT
SCHEMBL6671747 0.84 LTA4H (0.49) LTA4HTHRBTHRATSHRMAPT
SCHEMBL3314123 0.83 TSHR (0.38) LTA4HTHRBTSHRMAPTHTT
SCHEMBL15510624 0.82 LTA4H (0.56) LTA4HTHRBTHRAHRH3
SCHEMBL12120102 0.82 LTA4H (0.60) LTA4HTHRBTHRAMAPTMEN1

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
JP-3553083-B2 2004-08-11 JP claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed