SCHEMBL6136038

SCHEMBL6136038

CCOc1ccc(Oc2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
POLB P06746 4/20 0.56
USP10 Q14694 1/20 0.54
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 2/20 0.49
VCAM1 P19320 1/20 0.49
MAPK1 P28482 2/20 0.46
PSMD14 O00487 1/20 0.44
BLM P54132 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
SCHEMBL6534873 0.87 MAPT (0.61) MAPTPOLBUSP10ALDH1A1NPSR1
SCHEMBL11540771 0.84 POLB (0.61) MAPTPOLBUSP10ALDH1A1NPSR1
SCHEMBL6135858 0.79 MAPT (0.47) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL6534811 0.79 USP2 (0.49) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL11546125 0.76 POLB (0.55) MAPTPOLBALDH1A1NPSR1HPGD
SCHEMBL17512389 0.76 GAA (0.64) MAPTPOLBALDH1A1NPSR1HPGD
SCHEMBL5216905 0.76 TPMT (0.64) MAPTPOLBALDH1A1NPSR1HPGD
SCHEMBL11543280 0.75 VCAM1 (0.53) MAPTPOLBUSP10ALDH1A1NPSR1
SCHEMBL3575572 0.75 KMT2A (0.50) MAPTPOLBALDH1A1NPSR1MEN1
SCHEMBL8477830 0.74 ESR1 (0.50) MAPTPOLBUSP10ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954299-B1 THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY FOR TREATING MALIGNANT TUMOURS OCTAMER INC (US) 2005-07-27 EP disclosed
EP-1003498-A4 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS BIOSOURCE TECH INC (US) 2004-07-14 EP disclosed
US-6326402-B1 AROMATIC ESTER COMPOUND OCTAMER, INC. 2001-12-04 US disclosed
US-6169104-B1 COMPOUNDS BIND TUBULIN AND EXHIBIT ANTI-MITOTIC PROPERTIES; USING SUCH COMPOUNDS TO INHIBIT ABNORMAL CELL MITOSIS AND, IN PARTICULAR, TO INHIBIT TUMOR CELL GROWTH LARGE SCALE BIOLOGY CORPORATION 2001-01-02 US disclosed
EP-0954299-A4 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER INC (US) 2000-09-06 EP disclosed
EP-1003498-A1 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS Biosource Technologies, Inc. (US) 2000-05-31 EP disclosed
US-6017958-A A THERAPEUTIC TREATMENT USING A METHYL ALKYLOXY- OR THIO-PHENYL BENZOATE, AS POTENT, SELECTIVE AND NON-TOXIC ANTI-TUMOR AGENTS FOR TREATING CANCER OCTAMER, INC. (US) 2000-01-25 US disclosed
EP-0954299-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY Octamer, Inc. (US) 1999-11-10 EP disclosed
WO-1998042328-A1 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS BIOSOURCE TECHNOLOGIES, INC. (US) 1998-10-01 WO disclosed
WO-1997046228-A9 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY 1998-04-23 WO disclosed
US-5736576-A ADMINISTERING METHYL 3,5-DIIODO-4-(4*-METHOXYPHENOXY)BENZOATE OCTAMER, INC. (US) 1998-04-07 US disclosed
WO-1997046228-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER, INC. (US) 1997-12-11 WO disclosed