SCHEMBL8034023

SCHEMBL8034023

CC(C)(C(=O)O)N(CC(=O)O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL13151737 0.86 MEN1 (0.50) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL9567604 0.83 RIPK1 (0.43) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL16390585 0.77 TSHR (0.40) LMNAALDH1A1TSHR
SCHEMBL13401414 0.76 CYP2C19 (0.40) RIPK1KMT2AMEN1NPC1RAB9A
SCHEMBL22095153 0.75 CYP2C19 (0.47) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL5962473 0.75 TSHR (0.54) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL9397678 0.74 RIPK1 (0.46) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL20475967 0.74 LMNA (0.47) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL14156783 0.74 KMT2A (0.51) RIPK1KMT2AMEN1HTTL3MBTL1
SCHEMBL1697396 0.74 LMNA (0.47) RIPK1KMT2AMEN1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0232751-B1 1-SUBSTITUTED-4,7,10-TRISCARBOXYMETHYL-1,4,7,10-TETRAAZACYCLODODECANE AND ANALOGS E.R. Squibb & Sons, Inc. (US) 1991-09-11 EP disclosed
US-4885363-A RADIOPHARMACEUTICAL IMAGING; MEDICAL DIAGNOSIS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US disclosed
EP-0232751-A1 1-substituted-4,7,10-triscarboxymethyl-1,4,7,10-tetraazacyclododecane and analogs E.R. Squibb & Sons, Inc. (US) 1987-08-19 EP disclosed