SCHEMBL6552013

SCHEMBL6552013

COC(=O)c1ccc(OCCCCCCCCCCBr)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.74
RAB9A P51151 3/20 0.66
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PLA2G4B P0C869 1/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL6132800 1.00 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL24684534 1.00 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL6132809 1.00 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL30325377 1.00 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL7317310 1.00 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL1964810 0.98 MAPT (0.77) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL7340035 0.95 MAPT (0.68) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL7339907 0.95 MAPT (0.68) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL7331945 0.95 MAPT (0.68) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL1796513 0.95 MAPT (0.77) MAPTRAB9AGAAL3MBTL1TDP1

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
EP-0785804-B1 LIPOSOMAL AGENTS AMERSHAM HEALTH SALUTAR INC (US) 2004-06-23 EP disclosed
EP-0755385-B1 CHELANT COMPOUNDS AMERSHAM HEALTH AS (NO) 2004-02-11 EP disclosed
US-6045821-A CHELATE COMPOUND IMMOBILIZED ON MEMBRANE WHEREBY THE CHELATING AGENT COMPRISES A MACROCYCLIC CHELANT MOIETY WITH A LIPOPHILIC MEMBRANE ASSOCIATING MOIETY ATTACHED TO RING ATOM; ORGANOMETALLIC COMPOUND MEDICAL DIAGNOSTIC AGENTS NYCOMED SALUTAR, INC. (US) 2000-04-04 US disclosed
US-5798089-A Chelant moieties linked to an aryl moiety by an interrupted alkylene linker NYCOMED SALUTAR, INC. (US) 1998-08-25 US disclosed
EP-0785804-A1 LIPOSOMAL AGENTS NYCOMED SALUTAR, INC. (US) 1997-07-30 EP disclosed
CN-1148384-A Chelant compounds NYCOMED IMAGING AS (US) 1997-04-23 CN disclosed
EP-0755385-A1 CHELANT COMPOUNDS NYCOMED IMAGING AS (NO) 1997-01-29 EP disclosed
WO-1996011023-A1 LIPOSOMAL AGENTS NYCOMED SALUTAR INC. (US) 1996-04-18 WO disclosed
WO-1995028392-A1 CHELANT COMPOUNDS NYCOMED SALUTAR INC. (US) 1995-10-26 WO disclosed