SCHEMBL782014

SCHEMBL782014

CCCCC(CC)C(=N)C(CC)CCCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.56
MAPK1 P28482 1/20 0.56
CA1 P00915 4/20 0.54
ALDH1A1 P00352 3/20 0.42
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
DNM1 Q05193 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 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
SCHEMBL11762017 0.90 CA2 (0.47) CA2MAPK1CA1
SCHEMBL27345960 0.82 CA2 (0.54) CA2MAPK1CA1ALDH1A1SLC1A3
SCHEMBL14300072 0.80 CA2 (0.61) CA2MAPK1CA1ALDH1A1SLC1A3
SCHEMBL11770563 0.79 CA2 (0.50) CA2DNM1TSHR
SCHEMBL2152864 0.76 CA2 (0.58) CA2MAPK1CA1ALDH1A1SLC1A3
SCHEMBL504106 0.76 CA2 (0.65) CA2MAPK1CA1ALDH1A1SLC1A3
2-Ethylhexanoic Acid SCHEMBL25318625 0.75 CA2 (0.95) CA2MAPK1CA1ALDH1A1SLC1A3
SCHEMBL813622 0.75 CA2 (0.64) CA2MAPK1CA1ALDH1A1SLC1A3
2-Ethylhexanoic Acid SCHEMBL1349240 0.75 CA2 (0.95) CA2MAPK1CA1ALDH1A1SLC1A3
SCHEMBL27473530 0.75 CA2 (0.46) CA2MAPK1CA1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654331-B1 PAINT COMPRISING A LIQUID PHASE AND AN ACTIVE POWDER PHASE AKZO NOBEL COATINGS INT BV (NL) 2013-12-11 EP disclosed
US-20120070571-A1 PAINT COMPRISING A LIQUID PHASE AND AN ACTIVE POWDER PHASE AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2012-03-22 US disclosed
US-8048482-B2 Paint comprising a liquid phase and an active powder phase AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2011-11-01 US disclosed
US-20060222765-A1 Paint comprising a liquid phase and an active powder phase AKZO NOBEL COATING INTERNATIONAL B.V. (NL) 2006-10-05 US disclosed
EP-1654331-A1 PAINT COMPRISING A LIQUID PHASE AND AN ACTIVE POWDER PHASE Akzo Nobel Coatings International B.V. (NL) 2006-05-10 EP disclosed
WO-2005017054-A1 PAINT COMPRISING A LIQUID PHASE AND AN ACTIVE POWDER PHASE AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2005-02-24 WO disclosed