SCHEMBL8060261

SCHEMBL8060261

O=C([O-])c1cc(C(=O)[O-])cc([N+](=O)[O-])c1.O=C([O-])c1cc(C(=O)[O-])cc([N+](=O)[O-])c1.[Pb+4]

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CYP3A4 P08684 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CES1 P23141 2/20 0.48
CES2 O00748 1/20 0.48
TP53 P04637 1/20 0.47
CYP19A1 P11511 1/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX5 P09917 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL28383312 0.98 CA1 (0.61) CA1CA2CYP3A4SMN1; SMN2CES1
SCHEMBL21646210 0.95 CA1 (0.59) CA1CA2CYP3A4SMN1; SMN2CES1
SCHEMBL8060270 0.95 CA1 (0.59) CA1CA2CYP3A4SMN1; SMN2CES1
SCHEMBL8060264 0.95 CA1 (0.59) CA1CA2CYP3A4SMN1; SMN2CES1
Zinc Ion SCHEMBL405080 0.95 CA1 (0.59) CA1CA2CYP3A4SMN1; SMN2CES1
SCHEMBL7558525 0.95 CA1 (0.63) CA1CA2CYP3A4SMN1; SMN2CES1
SCHEMBL28422672 0.95 CA1 (0.59) CA1CA2CYP3A4SMN1; SMN2CES1
Zinc Ion SCHEMBL11650518 0.93 CA1 (0.57) CA1CA2CYP3A4SMN1; SMN2CES1
Zinc Ion SCHEMBL11650512 0.93 CA1 (0.57) CA1CA2CYP3A4SMN1; SMN2CES1
Potassium Ion SCHEMBL12393446 0.91 CYP3A4 (0.63) CA1CA2CYP3A4SMN1; SMN2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455415-B1 Anticorrosive composition ICI PLC (GB) 2000-06-14 EP disclosed
EP-0509702-B1 Polyphenol derivatives and their use as coating agent ZENECA LTD (GB) 1996-01-03 EP disclosed
EP-0409403-B1 Composition providing surface protection ZENECA LTD (GB) 1995-08-02 EP disclosed
US-5374365-A Polyphenol compounds and their use in lubricants and coatings ZENECA LIMITED (GB) 1994-12-20 US disclosed
US-5316696-A Protective coatings for metals containing poly(oxyalkylene) glycol derivatives, long chain anhydrides and optional oxime hydroxides IMPERIAL CHEMICAL INDUSTRIES PLC 1994-05-31 US disclosed
US-5258532-A Hydroxyalkyl substituted o-hydroxynaphthoic acid derivatives; corrosion inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
EP-0289155-B1 ANTI-CORROSIVE COMPOSITION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-26 EP disclosed
EP-0509702-A2 Polyphenol derivatives and their use as coating agent ZENECA LIMITED (GB) 1992-10-21 EP disclosed
EP-0490508-A2 Corrosion inhibitor, preparation and use ZENECA LIMITED (GB) 1992-06-17 EP disclosed
EP-0455415-A1 Anticorrosive composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-06 EP disclosed
US-4999250-A Corrosion Resistant Coating for Metals Containing a Metal Salt of an Aromatic Hydroxycarboxylic Acid and a Surface Coating Compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
EP-0409403-A2 Composition providing surface protection ZENECA LIMITED (GB) 1991-01-23 EP disclosed
EP-0289155-A2 Anti-corrosive composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-02 EP disclosed
US-4089690-A ZINC SALT OF 5-NITROISOPHTHALIC ACID OR MONONITRO TEREPHTHALIC ACID BASF FARBEN & FASERN AG (DT) 1978-05-16 US disclosed