SCHEMBL6136142

SCHEMBL6136142

COC(=O)c1cc(I)c(Oc2ccc(I)cc2)c(I)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PCNA P12004 8/20 0.44
MAPT P10636 2/20 0.43
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL237992 0.90 CA1 (0.58) POLBCA1CA2KDM4ELMNA
SCHEMBL6135981 0.89 PCNA (0.56) POLBCA1CA2KDM4ELMNA
SCHEMBL6135987 0.87 TSHR (0.52) POLBCA1CA2KDM4ELMNA
SCHEMBL6135858 0.85 MAPT (0.47) POLBKDM4ELMNATDP1PCNA
SCHEMBL5000641 0.83 USP2 (0.53) POLBCA1CA2KDM4ELMNA
SCHEMBL6135975 0.83 MAPT (0.53) MAPTTSHR
SCHEMBL6135940 0.83 MAPT (0.53) KDM4EGAATDP1L3MBTL1PCNA
SCHEMBL358548 0.82 TPMT (0.54) POLBCA1CA2KDM4ELMNA
SCHEMBL6720943 0.81 TPMT (0.50) POLBLMNAPCNATPMTTSHR
SCHEMBL6135844 0.80 NPC1 (0.48) POLBCA1CA2KDM4ELMNA

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 10 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
US-6326402-B1 AROMATIC ESTER COMPOUND OCTAMER, INC. 2001-12-04 US disclosed
US-6303621-B1 ADMINISTERING DIIODO THYRONINE ANALOGUE HAVING NO SIGNIFICANT HORMONAL ACTIVITY AND A VINCA ALKALOID SELECTED FROM LEUROSINE, VINCALEUKOBLASTINE, VINBLASTINE, LEUROFORMINE, LEUROSIDINE, LEUROCRISTINE, VINCRISTINE, DEOXY VINBLASTINE OCTAMER, INC. 2001-10-16 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
WO-2000009114-A1 METHODS FOR TREATING VIRAL INFECTIONS USING A COMPOUND CAPABLE OF INHIBITING MICROTUBULES OCTAMER, INC. (US) 2000-02-24 WO 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-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