SCHEMBL8474356

SCHEMBL8474356

COC(=O)CCC(C(=O)OC)N1CCN(C(CCC(=O)OC)C(=O)OC)CCN(C(CCC(=O)OC)C(=O)OC)CCN(C(CCC(=O)OC)C(=O)OC)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
SLC1A1 P43005 1/20 0.38
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CA12 O43570 2/20 0.33
LMNA P02545 2/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL15267777 0.91 SIGMAR1 (0.39) TSHRSLC1A1GLAKMT2AMEN1
SCHEMBL12358676 0.91 SIGMAR1 (0.39) TSHRSLC1A1GLAKMT2AMEN1
SCHEMBL10012740 0.89 SIGMAR1 (0.40) TSHRSLC1A1GLASMN1; SMN2KMT2A
SCHEMBL22927604 0.81 NOTUM (0.38) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL21706214 0.81 NOTUM (0.38) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL17706710 0.81 L3MBTL1 (0.43) TSHRGLASMN1; SMN2KMT2AMEN1
SCHEMBL11567612 0.81 L3MBTL1 (0.43) TSHRGLASMN1; SMN2KMT2AMEN1
SCHEMBL17766650 0.79 MAPT (0.39) TSHRSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL29589915 0.78 SIGMAR1 (0.36) KMT2AMEN1MAPT
SCHEMBL30842354 0.77 MEN1 (0.41) TSHRSMN1; SMN2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919432-A Polyaminated ligands and metal complexes thereof GUERBET S.A. (FR) 1999-07-06 US disclosed
US-5712389-A Polyaminated ligands and metal complexes thereof GUERBET S.A. (FR) 1998-01-27 US disclosed
EP-0661279-A1 Polyaminated ligands, metal complexes, process for their preparation and diagnostic and therapeutic applications GUERBET S.A. (FR) 1995-07-05 EP disclosed