SCHEMBL8600693

SCHEMBL8600693

O=C1C=C(C2=CC(=O)C(=O)c3ccccc32)c2ccccc2C1=O

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.75
PTPRC P08575 6/20 0.75
CDC25B P30305 3/20 0.75
PTPRF P10586 2/20 0.75
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
PTPN22 Q9Y2R2 1/20 0.60
NSD2 O96028 1/20 0.60
HKDC1 Q2TB90 1/20 0.60
BACE1 P56817 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MALT1 Q9UDY8 1/20 0.54

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
SCHEMBL8596446 0.91 PTPN1 (0.64) PTPN1PTPRCCDC25BPTPRFKDM4E
SCHEMBL29808966 0.86 PTPN1 (1.00) PTPN1PTPRCCDC25BPTPRFKDM4E
SCHEMBL6236312 0.86 PTPN1 (1.00) PTPN1PTPRCCDC25BPTPRFKDM4E
SCHEMBL9286666 0.83 BACE1 (0.60) PTPN1PTPRCCDC25BPTPRFALDH1A1
SCHEMBL1708066 0.83 BACE1 (0.60) PTPN1PTPRCCDC25BPTPRFALDH1A1
SCHEMBL6231543 0.83 PTPRC (1.00) PTPN1PTPRCCDC25BPTPRFKDM4E
SCHEMBL6236908 0.81 PTPRC (1.00) PTPN1PTPRCCDC25BPTPRFBACE1
SCHEMBL6235934 0.80 PTPN1 (1.00) PTPN1PTPRCCDC25BPTPRFKDM4E
SCHEMBL8596788 0.80 PTPN1 (0.62) PTPN1PTPRCCDC25BPTPRFKDM4E
Dimethylamine SCHEMBL7487471 0.80 PTPN1 (0.85) PTPN1PTPRCCDC25BPTPRFBACE1

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