SCHEMBL7895174

SCHEMBL7895174

C=C(c1ccc(O)c(C(=O)O)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 8/20 0.53
MCL1 Q07820 4/20 0.53
HNF4A P41235 2/20 0.53
DHFR P00374 1/20 0.53
PTPN1 P18031 2/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
AKR1C3 P42330 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
SCHEMBL5313573 0.81 HNF4A (0.53) ACMSDMCL1HNF4ADHFRPTPN1
SCHEMBL7706125 0.80 ACMSD (0.49) ACMSDMCL1HNF4ADHFRPTPN1
SCHEMBL1048685 0.79 CA1 (0.55) ACMSDMCL1HNF4ADHFRPTPN1
SCHEMBL7893778 0.78 ACMSD (0.56) ACMSDMCL1HNF4ADHFRPTPN1
SCHEMBL7711866 0.78 MCL1 (0.58) ACMSDMCL1HNF4ADHFRCA1
SCHEMBL15882918 0.78 CA1 (0.71) ACMSDMCL1HNF4ADHFRPTPN1
SCHEMBL7709289 0.77 ACMSD (0.49) ACMSDMCL1HNF4ADHFRPTPN1
SCHEMBL2533617 0.76 ACMSD (0.76) ACMSDMCL1HNF4ADHFRPTPN1
SCHEMBL12187086 0.75 BCAT2 (0.49) HNF4APTPN1ALDH1A1SMN1; SMN2AKR1C3
SCHEMBL13191852 0.75 BCAT2 (0.49) HNF4APTPN1ALDH1A1SMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1285818-A Compounds for antemortem diagnosis and in vivo imaging of alzheimer's disease and prevention of amyloid deposition UNIV PITTSBURGH (US) 2001-02-28 CN 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