SCHEMBL8229587

SCHEMBL8229587

O=C(O)c1cc(C=Cc2ccccc2C=Cc2ccc(O)c(C(=O)O)c2)ccc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.81
HNF4A P41235 2/20 0.81
PTPN2 P17706 1/20 0.77
PTPN6 P29350 1/20 0.77
LCK P06239 1/20 0.71
APP P05067 5/20 0.69
PTGS2 P35354 1/20 0.68
DHODH Q02127 1/20 0.52
PIM1 P11309 1/20 0.52
DHFR P00374 1/20 0.51
MCL1 Q07820 1/20 0.51
ACMSD Q8TDX5 1/20 0.51
GRIK1 P39086 1/20 0.51
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
GRIK2 Q13002 1/20 0.51
GRIK3 Q13003 1/20 0.51
SLC7A11 Q9UPY5 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
SCHEMBL21385358 0.89 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6LCK
SCHEMBL673426 0.89 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6LCK
SCHEMBL30075246 0.89 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6LCK
SCHEMBL8229438 0.89 PTPN1 (0.73) PTPN1HNF4APTPN2PTPN6LCK
SCHEMBL7706129 0.89 PTPN1 (0.73) PTPN1HNF4APTPN2PTPN6LCK
SCHEMBL23143179 0.88 PTPN1 (0.68) PTPN1HNF4APTPN2PTPN6LCK
SCHEMBL7895177 0.88 PTPN1 (0.68) PTPN1HNF4APTPN2PTPN6LCK
SCHEMBL30075293 0.88 PTPN1 (0.68) PTPN1HNF4APTPN2PTPN6LCK
SCHEMBL6266631 0.87 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6LCK
SCHEMBL1048686 0.87 PTPN1 (1.00) PTPN1HNF4APTPN2PTPN6LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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