SCHEMBL7709289

SCHEMBL7709289

C=C(c1ccc(O)c(C(=O)O)c1)c1c2ccccc2c(C(=C)c2ccc(O)c(C(=O)O)c2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 5/20 0.49
HNF4A P41235 4/20 0.49
MCL1 Q07820 3/20 0.49
DHFR P00374 1/20 0.49
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PTGS2 P35354 2/20 0.46
ALOX5 P09917 1/20 0.46
PTPN1 P18031 2/20 0.45
THRB P10828 3/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HMGB1 P09429 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL7706125 0.87 ACMSD (0.49) ACMSDHNF4AMCL1DHFRCA1
SCHEMBL5313573 0.85 HNF4A (0.53) ACMSDHNF4AMCL1DHFRCA1
SCHEMBL1048685 0.83 CA1 (0.55) ACMSDHNF4AMCL1DHFRCA1
SCHEMBL7893778 0.82 ACMSD (0.56) ACMSDHNF4AMCL1DHFRCA1
SCHEMBL7711866 0.78 MCL1 (0.58) ACMSDHNF4AMCL1DHFRCA1
SCHEMBL15882918 0.78 CA1 (0.71) ACMSDHNF4AMCL1DHFRCA1
SCHEMBL7895174 0.77 ACMSD (0.53) ACMSDHNF4AMCL1DHFRCA1
SCHEMBL6539439 0.75 CA12 (0.52) ACMSDHNF4AMCL1DHFRCA1
SCHEMBL30268239 0.74 KDM4E (0.67) ACMSDHNF4AMCL1DHFRCA1
SCHEMBL330378 0.74 KDM4E (0.67) ACMSDHNF4AMCL1DHFRCA1

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 7 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
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