SCHEMBL4147100

SCHEMBL4147100

CCC(C)N(CC)CC(O)CO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
SCN5A Q14524 1/20 0.36
KCND3 Q9UK17 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A9 P48067 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
SCHEMBL26699604 0.91 KCNA5 (0.38) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL25685120 0.89 ALDH1A1 (0.35) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL7571504 0.82 KCNA5 (0.38) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL25761576 0.82 KCNA5 (0.38) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL24292469 0.74 KCNA5 (0.50) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL7961260 0.74
SCHEMBL26045938 0.74
SCHEMBL20753133 0.74 LMNA (0.42) KCNA5KCNJ5KCNJ3SCN5AKCND3
SCHEMBL30353890 0.73 TDP1 (0.41) KCNA5TDP1TSHR
SCHEMBL13452838 0.72

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
US-20090036322-A1 Leukocyte Adsorbing Material UNIVERSITY OF SOUTHHAMPTON (GB) 2009-02-05 US disclosed
EP-1776184-A1 LEUKOCYTE ADSORBING MATERIAL UNIVERSITY OF SOUTHAMPTON (GB) 2007-04-25 EP disclosed
WO-2005113136-A1 LEUKOCYTE ADSORBING MATERIAL UNIVERSITY OF SOUTHAMPTON (GB) 2005-12-01 WO disclosed