SCHEMBL8952199

SCHEMBL8952199

Cc1cc(Cl)cc2c1Oc1cc(Cl)cc(Cl)c1O2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 12/20 0.64
CYP19A1 P11511 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.37
ALDH1A1 P00352 2/20 0.33
FLT1 P17948 1/20 0.32
EZH2 Q15910 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL8952143 0.94 AHR (0.62) AHRCYP19A1RAPGEF4ALDH1A1FLT1
SCHEMBL8952151 0.87 AHR (0.82) AHRALDH1A1FLT1CYP3A4TSHR
SCHEMBL8952194 0.80 AHR (0.78) AHRALDH1A1FLT1CYP3A4TSHR
SCHEMBL4737802 0.78 AHR (0.69) AHRALDH1A1FLT1CYP3A4TSHR
SCHEMBL31696700 0.78 AHR (1.00) AHRALDH1A1FLT1CYP3A4TSHR
SCHEMBL9345588 0.78 AHR (1.00) AHRALDH1A1FLT1CYP3A4TSHR
SCHEMBL2884895 0.77 AHR (0.67) AHRALDH1A1FLT1CYP3A4TSHR
SCHEMBL8958639 0.75 AHR (0.70) AHRALDH1A1FLT1
SCHEMBL30431628 0.75 AHR (0.70) AHRALDH1A1FLT1
SCHEMBL7887922 0.73 AHR (0.74) AHRFLT1CYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990008142-A1 SYNTHESIS AND APPLICATION OF 1,3,6,8- AND 2,4,6,8-SUBSTITUTED DIBENZOFURANS AND DIBENZO-p-DIOXINS AS ANTITUMORIGENIC AGENTS TEXAS A&M UNIVERSITY (US) 1990-07-26 WO claimed
US-5516790-A Synthesis and application of alkyl-substituted dibenzofurans as antitumorigenic agents TEXAS A&M UNIVERSITY SYSTEM TECHNOLOGY LICENSING OFFICE (US) 1996-05-14 US disclosed
WO-1990008142-A1 SYNTHESIS AND APPLICATION OF 1,3,6,8- AND 2,4,6,8-SUBSTITUTED DIBENZOFURANS AND DIBENZO-p-DIOXINS AS ANTITUMORIGENIC AGENTS TEXAS A&M UNIVERSITY (US) 1990-07-26 WO disclosed