SCHEMBL14458065

SCHEMBL14458065

Clc1cc2c(cc1Cl)Oc1cc3ccccc3cc1O2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 15/20 0.65
FLT1 P17948 1/20 0.65
CYP2A6 P11509 2/20 0.42
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL903605 0.87 AHR (0.46) AHRFLT1CYP2A6POLBCASP6
SCHEMBL16779994 0.87 AHR (0.46) AHRFLT1CYP2A6POLBCASP6
2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL10692053 0.84 AHR (0.72) AHRFLT1
SCHEMBL3096913 0.84 AHR (0.72) AHRFLT1
SCHEMBL14458072 0.81 AHR (0.54) AHRCYP2A6POLBCASP6MAPT
2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL10906041 0.81 AHR (0.87) AHRFLT1
2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL8939 0.81 AHR (1.00) AHRFLT1
2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL29350382 0.81 AHR (1.00) AHRFLT1
2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL29364019 0.81 AHR (1.00) AHRFLT1
2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL1747904 0.80 AHR (0.65) AHRFLT1CYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241905-B2 Dioxin analogues and methods and kits for searching out dioxins-decomposing organisms or enzymes or dioxin-decomposing enzyme genes FORESTRY AND FOREST PRODUCTS RESEARCH INSTITUTE (JP) 2007-07-10 US disclosed
US-7241905-B2 Dioxin analogues and methods and kits for searching out dioxins-decomposing organisms or enzymes or dioxin-decomposing enzyme genes FORESTRY AND FOREST PRODUCTS RESEARCH INSTITUTE (JP) 2007-07-10 US disclosed