SCHEMBL7202544

SCHEMBL7202544

C=CCc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 14/20 0.59
ALOX5 P09917 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CDK8 P49336 1/20 0.32
CLK2 P49760 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL6463365 0.80 AHR (0.64) AHRCDK1CCNB1MAOB
SCHEMBL6463848 0.78 AHR (0.60) AHRALOX5CDK1CCNB1
SCHEMBL9215395 0.77 AHR (0.73) AHR
SCHEMBL8134191 0.75 AHR (0.57) AHRCDK1CCNB1MEN1KMT2A
SCHEMBL1804174 0.74 AHR (1.00) AHR
SCHEMBL2281295 0.69 AHR (1.00) AHR
SCHEMBL6472813 0.68 AHR (0.64) AHRMAOB
SCHEMBL8120005 0.68 AHR (0.64) AHR
SCHEMBL1803931 0.67 AHR (0.68) AHRMEN1KMT2A
SCHEMBL29375526 0.67 AHR (0.68) AHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140047-B1 ENDOCRINE THERAPY FOR BREAST CANCER: COMBINED TREATMENT WITH TAMOXIFEN PLUS ALKYL PCDFS TEXAS A & M UNIV SYS (US) 2003-10-29 EP disclosed
EP-1140047-A2 ENDOCRINE THERAPY FOR BREAST CANCER: COMBINED TREATMENT WITH TAMOXIFEN PLUS ALKYL PCDFS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2001-10-10 EP disclosed
US-6136845-A ANTITUMOR AGENTS; MIXTURE CONTAINING POLYCHLORINATED DIBENZOFURAN THE TEXAS A&M UNIVERSITY SYSTEM (US) 2000-10-24 US disclosed
WO-2000037065-A2 ENDOCRINE THERAPY FOR BREAST CANCER: COMBINED TREATMENT WITH TAMOXIFEN PLUS ALKYL PCDFS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2000-06-29 WO disclosed