SCHEMBL7187154

SCHEMBL7187154

CCCCC(N)N(CCC)CCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.35
FDPS P14324 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
SLC15A1 P46059 1/20 0.31
TP53 P04637 1/20 0.31
LAP3 P28838 1/20 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
SCHEMBL7189754 0.93 OPRM1 (0.48) PLA2G1BPLA2G2AOPRM1SLC1A2SLC1A1
SCHEMBL20774234 0.90 PLA2G1B (0.39) PLA2G1BPLA2G2AOPRM1ALDH1A1TDP1
SCHEMBL3237512 0.84 FDPS (0.36) PLA2G1BPLA2G2AOPRM1FDPS
SCHEMBL27528570 0.84 ALDH1A1 (0.37) PLA2G1BPLA2G2AOPRM1ALDH1A1SLC1A3
SCHEMBL10879073 0.83 OPRM1 (0.48) PLA2G1BPLA2G2AOPRM1SLC1A2SLC1A1
SCHEMBL1396281 0.82 OPRM1 (0.40) PLA2G1BPLA2G2AOPRM1ALDH1A1TDP1
SCHEMBL6908178 0.81 PLA2G1B (0.50) PLA2G1BPLA2G2AOPRM1DNM1SPHK1
SCHEMBL15477624 0.81 PLA2G1B (0.50) PLA2G1BPLA2G2AOPRM1DNM1SPHK1
SCHEMBL9766793 0.81 PLA2G1B (0.50) PLA2G1BPLA2G2AOPRM1SPHK1TP53
SCHEMBL9244931 0.81 PLA2G1B (0.50) PLA2G1BPLA2G2AOPRM1SPHK1TP53

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
US-6583231-B2 Ozonolysis of unsaturated polyolefins in alcohol-hydrocarbon mixture forming polyolefin-alkoxyhydroperoxides which are reduced to form hemiacetals and hemiketals, then aminating and removing catalyst; halogen-free; fuel/oil adjuvants AKZO NOBEL N.V. (NL) 2003-06-24 US disclosed
US-6320084-B2 DISSOLVING 3-BUTENE-1,2-DIOL IN LOWER ALKANOL, SUBJECTING TO OZONOLYSIS TO OBTAIN 3-HYDROPEROXY-3-ALKOXY-PROPANE-1,2-DIOL, REDUCING TO HEMIACETAL OF GLYCERALDEHYDE, CONVERTING TO GLYCERALDEHYDE OR ACETAL THEREOF AKZO NOBEL NV (NL) 2001-11-20 US disclosed
US-20010027239-A1 Ozonolysis of unsaturated polyolefins in alcohol-hydrocarbon mixture forming polyolefin-alkoxyhydroperoxides which are reduced to form hemiacetals and hemiketals, then aminating and removing catalyst; halogen-free; fuel/oil adjuvants AKZO NOBEL NV (NL) 2001-10-04 US disclosed
US-20010025124-A1 Dissolving 3-butene-1,2-diol in alkanol; ozonolysis AKZO NOBEL N.V. (NL) 2001-09-27 US disclosed
WO-2001062696-A1 PROCESS FOR THE PREPARATION OF GLYCERALDEHYDE AND DERIVATIVES THEREOF AKZO NOBEL N.V. (NL) 2001-08-30 WO disclosed
WO-2001055229-A1 PROCESS TO MAKE AMINATED POLYOLEFINS AKZO NOBEL N.V. (NL) 2001-08-02 WO disclosed