SCHEMBL8034106

SCHEMBL8034106

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)NCCO)CCN(CC(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
SIGMAR1 Q99720 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL16731669 1.00 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL7128542 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL7131820 0.85 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL4579798 0.84 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL4578093 0.84 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2SIGMAR1TDP1TSHR
SCHEMBL15834506 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL9098499 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL22791264 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL18118428 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10
SCHEMBL16731671 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SIGMAR1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4885363-A RADIOPHARMACEUTICAL IMAGING; MEDICAL DIAGNOSIS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US claimed
EP-0292689-A2 Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs BRACCO INTERNATIONAL B.V. (NL) 1988-11-30 EP claimed
US-6143274-A IMAGING MAMMALIAN TISSUE UTILIZING A NON-IONIC COMPLEX OF A PARAMAGNETIC ION OF LANTHANIDE ELEMENT AND A MACROCYCLIC CHELATING AGENT BRACCO DIAGNOSTICS, INC. 2000-11-07 US disclosed
US-5846519-A Method for imaging mammalian tissue using 1-substituted-1,4,7-tricarboxymethyl-1,4,7,10-tetraazacyclododecane and analogs BRACCO DIAGNOSTICS INC. (US) 1998-12-08 US disclosed
US-5674470-A Method for imaging mammalian tissue using 1-substituted- 4,7,10-tricarboxymethyl-1,4,7,10-tetraazacyclododecane and analogs BRACCO DIAGNOSTICS INC. (US) 1997-10-07 US disclosed
EP-0292689-B1 Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs BRACCO INT BV (NL) 1996-07-31 EP disclosed
US-5474756-A Chelate compound of a paramagnetic ion of lanthanide element BRACCO INTERNATIONAL B.V. (NL) 1995-12-12 US disclosed
US-4885363-A RADIOPHARMACEUTICAL IMAGING; MEDICAL DIAGNOSIS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US disclosed
EP-0292689-A2 Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs BRACCO INTERNATIONAL B.V. (NL) 1988-11-30 EP disclosed