SCHEMBL8596446

SCHEMBL8596446

O=C1C=C(C2=CC(=O)c3ccccc3C2=O)c2ccccc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.64
PTPRC P08575 6/20 0.64
CDC25B P30305 3/20 0.64
BACE1 P56817 2/20 0.64
PTPRF P10586 2/20 0.64
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PTPN22 Q9Y2R2 1/20 0.52
MEN1 O00255 1/20 0.52
PLIN1 O60240 1/20 0.52
NR1I2 O75469 1/20 0.52
USP2 O75604 1/20 0.52
GSR P00390 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL6555840 0.91 BACE1 (0.75) PTPN1PTPRCCDC25BBACE1PTPRF
SCHEMBL8600693 0.91 PTPN1 (0.75) PTPN1PTPRCCDC25BBACE1PTPRF
SCHEMBL1708066 0.86 BACE1 (0.60) PTPN1PTPRCCDC25BBACE1PTPRF
SCHEMBL9286666 0.86 BACE1 (0.60) PTPN1PTPRCCDC25BBACE1PTPRF
SCHEMBL29808966 0.78 PTPN1 (1.00) PTPN1PTPRCCDC25BBACE1PTPRF
SCHEMBL6236312 0.78 PTPN1 (1.00) PTPN1PTPRCCDC25BBACE1PTPRF
SCHEMBL5485068 0.78 BACE1 (1.00) PTPN1PTPRCCDC25BBACE1PTPRF
SCHEMBL29673492 0.78 BACE1 (1.00) PTPN1PTPRCCDC25BBACE1PTPRF
SCHEMBL13020950 0.76 BACE1 (0.72) PTPN1PTPRCCDC25BBACE1PTPRF
SCHEMBL5326940 0.76 BACE1 (0.50) PTPN1PTPRCCDC25BBACE1PTPRF

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
EP-0653441-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1998-02-04 EP claimed
EP-0653441-A1 Polymer scale preventive agent SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-05-17 EP claimed
EP-0653441-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1998-02-04 EP disclosed
US-5492982-A MIXTURE OF NAPHTHOQUINONE DIMER, WATER SOLUBLE POLYMER AND AN INORGANIC COLLOID SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-02-20 US disclosed
EP-0653441-A1 Polymer scale preventive agent SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-05-17 EP disclosed