SCHEMBL6453058

SCHEMBL6453058

C=C(C(=O)O)C(N)CCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.45
NOS3 P29474 5/20 0.45
NOS1 P29475 5/20 0.45
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
GSR P00390 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
BHMT Q93088 1/20 0.32
KDM4A O75164 3/20 0.32
KDM4C Q9H3R0 3/20 0.32
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
PHF8 Q9UPP1 1/20 0.32

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
SCHEMBL1527394 0.80 NOS2 (0.65) NOS2NOS3NOS1GRIK1GRIK2
SCHEMBL25629375 0.80 NOS2 (0.65) NOS2NOS3NOS1GRIK1GRIK2
SCHEMBL1527395 0.80 NOS2 (0.65) NOS2NOS3NOS1GRIK1GRIK2
Hydrochloric Acid SCHEMBL8127399 0.79 NOS2 (0.62) NOS2NOS3NOS1GSRMEN1
SCHEMBL523166 0.79 SLC1A2 (0.48) NOS1GRIK1GRIK2
SCHEMBL1886382 0.77 GRIK1 (0.50) GRIK1GRIK2
SCHEMBL4604010 0.76 NOS2 (0.50) NOS2NOS3NOS1HTR2AHRH1
SCHEMBL4604013 0.76 NOS2 (0.50) NOS2NOS3NOS1HTR2AHRH1
Hydrochloric Acid SCHEMBL1883990 0.76 GRIK1 (0.49) GRIK1GRIK2
SCHEMBL4602287 0.76 NOS2 (0.42) NOS2NOS3NOS1UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509590-A1 CLEANING AND RINSING OF TEXTILE FABRICS UNILEVER N.V. (NL) 2005-03-02 EP claimed
WO-2003104371-A1 CLEANING AND RINSING OF TEXTILE FABRICS UNILEVER N.V. (NL) 2003-12-18 WO claimed
US-20030226210-A1 Cleaning and rinsing of textile fabrics UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-12-11 US claimed
EP-1284283-A1 Cleaning and rinsing of textile fabrics UNILEVER N.V. (NL) 2003-02-19 EP claimed
EP-1509590-A1 CLEANING AND RINSING OF TEXTILE FABRICS UNILEVER N.V. (NL) 2005-03-02 EP disclosed
EP-1417295-A1 CLEANING AND RINSING OF TEXTILE FABRICS UNILEVER N.V. (NL) 2004-05-12 EP disclosed
WO-2003104371-A1 CLEANING AND RINSING OF TEXTILE FABRICS UNILEVER N.V. (NL) 2003-12-18 WO disclosed
US-20030226210-A1 Cleaning and rinsing of textile fabrics UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-12-11 US disclosed
US-20030056301-A1 Cleaning and rinsing of textile fabrics UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-03-27 US disclosed
WO-2003016455-A1 CLEANING AND RINSING OF TEXTILE FABRICS UNILEVER N.V. (NL) 2003-02-27 WO disclosed
EP-1284283-A1 Cleaning and rinsing of textile fabrics UNILEVER N.V. (NL) 2003-02-19 EP disclosed