SCHEMBL7709291

SCHEMBL7709291

O=C(O)c1cc(C=Cc2c3ccccc3c(C=Cc3ccc(O)c(C(=O)O)c3)c3ccccc23)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.76
HNF4A P41235 2/20 0.76
PTPN2 P17706 1/20 0.72
PTPN6 P29350 1/20 0.72
PTGS2 P35354 2/20 0.64
LCK P06239 1/20 0.59
APP P05067 5/20 0.57
SLC7A11 Q9UPY5 1/20 0.52
PIM1 P11309 1/20 0.50
DHODH Q02127 1/20 0.50
ACMSD Q8TDX5 3/20 0.49
MCL1 Q07820 2/20 0.49
DHFR P00374 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL673426 0.86 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6PTGS2
SCHEMBL30075246 0.86 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6PTGS2
SCHEMBL21385358 0.86 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6PTGS2
SCHEMBL8229438 0.86 PTPN1 (0.73) PTPN1HNF4APTPN2PTPN6PTGS2
SCHEMBL7706129 0.86 PTPN1 (0.73) PTPN1HNF4APTPN2PTPN6PTGS2
SCHEMBL6266629 0.84 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6PTGS2
SCHEMBL29938670 0.84 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6PTGS2
SCHEMBL1048686 0.84 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6PTGS2
SCHEMBL6266631 0.84 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6PTGS2
SCHEMBL8229587 0.83 PTPN1 (0.81) PTPN1HNF4APTPN2PTPN6PTGS2

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-6417178-B1 Amyloid binding nitrogen-linked compounds for the antemortem diagnosis of alzheimer's disease, in vivo imaging and prevention of amyloid deposits UNIVERSITY OF PITTSBURGH 2002-07-09 US disclosed
WO-1999024394-A9 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIV PITTSBURGH (US) 2001-05-31 WO disclosed
US-6168776-B1 Alkyl, alkenyl and alkynyl Chrysamine G derivatives for the antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH 2001-01-02 US disclosed
US-6133259-A DIAGNOSIS OF ALZHEIMER'S DISEASE UNIVERSITY OF PITTSBURGH (US) 2000-10-17 US disclosed
US-6114175-A AMYLOID-BINDING COMPOUNDS WHICH ARE NON-AZO DERIVATIVES OF CHRYSAMINE G TO DETERMINE DEGREE OF BRAIN DEPOSITS QUANTITATIVELY CHARACTERIZED BY AMYLOIDOSIS; DOWN'S SYNDROME; PREVENT CELL DEGENERATION; RADIOACTIVE IMAGING UNIVERSITY OF PITTSBURGH (US) 2000-09-05 US disclosed
EP-1028941-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 2000-08-23 EP disclosed
EP-0977815-A1 ALKYL, ALKENYL AND ALKYNYL CHRYSAMINE G DERIVATIVES FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND $i(IN VIVO) IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 2000-02-09 EP disclosed
WO-1999024394-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1999-05-20 WO disclosed
WO-1998047969-A1 ALKYL, ALKENYL AND ALKYNYL CHRYSAMINE G DERIVATIVES FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1998-10-29 WO disclosed