SCHEMBL7189754

SCHEMBL7189754

CCCCCC(N)N(CCC)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
PLA2G1B P04054 1/20 0.47
PLA2G2A P14555 1/20 0.47
SPHK1 Q9NYA1 2/20 0.40
TP53 P04637 2/20 0.39
LAP3 P28838 2/20 0.39
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 1/20 0.38
HTT P42858 1/20 0.38
UBE2N P61088 1/20 0.38

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
SCHEMBL7187154 0.93 PLA2G1B (0.39) OPRM1PLA2G1BPLA2G2ASPHK1TP53
SCHEMBL10879073 0.91 OPRM1 (0.48) OPRM1PLA2G1BPLA2G2ASPHK1TP53
SCHEMBL15477624 0.88 PLA2G1B (0.50) OPRM1PLA2G1BPLA2G2ASPHK1TP53
SCHEMBL9766793 0.88 PLA2G1B (0.50) OPRM1PLA2G1BPLA2G2ASPHK1TP53
SCHEMBL6908178 0.88 PLA2G1B (0.50) OPRM1PLA2G1BPLA2G2ASPHK1TP53
SCHEMBL9244931 0.88 PLA2G1B (0.50) OPRM1PLA2G1BPLA2G2ASPHK1TP53
Fluoride SCHEMBL30801645 0.87 LMNA (0.42) OPRM1PLA2G1BPLA2G2ASPHK1TP53
SCHEMBL20774234 0.83 PLA2G1B (0.39) OPRM1PLA2G1BPLA2G2ASPHK1TP53
SCHEMBL2845824 0.83 OPRM1 (0.50) OPRM1PLA2G1BPLA2G2ASPHK1TP53
SCHEMBL3237512 0.82 FDPS (0.36) OPRM1PLA2G1BPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109554004-B Pigment dispersants and their use 江苏丽王科技股份有限公司 2024-02-20 CN disclosed
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