SCHEMBL6136040

SCHEMBL6136040

CCOC(=O)c1cc(I)c(Oc2ccc(OC)cc2)c(I)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.49
MCHR1 Q99705 2/20 0.49
PTGS2 P35354 1/20 0.47
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ESR1 P03372 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HSD17B2 P37059 1/20 0.44
ALDH1A1 P00352 3/20 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
SCHEMBL237992 0.85 CA1 (0.58) NPBWR1MAPTL3MBTL1MEN1KMT2A
SCHEMBL25456063 0.83 CA12 (0.55) ESR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6367348 0.83 NPBWR1 (0.58) NPBWR1MCHR1PTGS2MAPTSMN1; SMN2
SCHEMBL7561681 0.82 KMT2A (0.47) SMN1; SMN2KMT2ACYP1A2POLBHPGD
SCHEMBL6859639 0.81 PCNA (0.50) SMN1; SMN2L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL4431892 0.80 MAPT (0.48) MAPTCYP3A4CA1CA2ALDH1A1
SCHEMBL6135835 0.80 TPMT (0.58) SMN1; SMN2MEN1KMT2ACA1CA2
SCHEMBL6135858 0.80 MAPT (0.47) MAPTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL5837526 0.80 MAPT (0.59) NPBWR1MCHR1PTGS2MAPTSMN1; SMN2
SCHEMBL6135971 0.79 PARP10 (0.45) MAPTSMN1; SMN2ESR1CYP2C19CA1

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 8 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
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
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