SCHEMBL687467

SCHEMBL687467

CCOC(=O)CCN1CCCN(CCC(=O)OCC)CCN(CCC(=O)OCC)CCCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.44
SIGMAR1 Q99720 2/20 0.43
TSHR P16473 4/20 0.38
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4446110 0.94 CXCR4 (0.51) CXCR4SIGMAR1TSHRLMNAPOLB
SCHEMBL1341702 0.91 TSHR (0.43) SIGMAR1TSHRLMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL4123503 0.89 TSHR (0.42) SIGMAR1TSHRLMNAPOLBALDH1A1
SCHEMBL18138091 0.89 TSHR (0.42) CXCR4SIGMAR1TSHRLMNAPOLB
Hydrochloric Acid SCHEMBL16528079 0.89 TSHR (0.42) SIGMAR1TSHRLMNAPOLBALDH1A1
SCHEMBL13464058 0.89 CXCR4 (0.41) CXCR4SIGMAR1TSHRLMNAALDH1A1
SCHEMBL3569267 0.88 CXCR4 (0.51) CXCR4SIGMAR1TSHRALDH1A1HRH2
SCHEMBL18164971 0.87 LMNA (0.45) SIGMAR1TSHRLMNAPOLBALDH1A1
SCHEMBL3573206 0.87 CXCR4 (0.53) CXCR4SIGMAR1TSHRALDH1A1HRH2
Ethyl Propionate SCHEMBL11668791 0.86 TSHR (0.40) SIGMAR1TSHRLMNAPOLBALDH1A1

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-8841384-B2 Material comprising polyazacycloalkanes, grafted on polypropylene fibres, its process of preparation, and process for removing metal cations from a liquid COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2014-09-23 US disclosed
US-8841384-B2 Material comprising polyazacycloalkanes, grafted on polypropylene fibres, its process of preparation, and process for removing metal cations from a liquid COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2014-09-23 US disclosed
US-8841384-B2 Material comprising polyazacycloalkanes, grafted on polypropylene fibres, its process of preparation, and process for removing metal cations from a liquid COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2014-09-23 US disclosed
EP-2109632-B1 MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID COMMISSARIAT ENERGIE ATOMIQUE (FR) 2012-02-29 EP disclosed
US-20100059446-A1 MATERIAL COMPRISING POLYAZACYCLOALKANES, GRAFTED ON POLYPROPYLENE FIBRES, ITS PROCESS OF PREPARATION, AND PROCESS FOR REMOVING METAL CATIONS FROM A LIQUID COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-03-11 US disclosed
US-20100059446-A1 MATERIAL COMPRISING POLYAZACYCLOALKANES, GRAFTED ON POLYPROPYLENE FIBRES, ITS PROCESS OF PREPARATION, AND PROCESS FOR REMOVING METAL CATIONS FROM A LIQUID COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-03-11 US disclosed