SCHEMBL8134191

SCHEMBL8134191

CCCCc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 11/20 0.57
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
CTRC Q99895 1/20 0.35
HTT P42858 1/20 0.35
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL6463848 0.91 AHR (0.60) AHRMAPTSIRT2ALDH1A1KDM4E
SCHEMBL6463365 0.85 AHR (0.64) AHRALDH1A1CDK1CCNB1
SCHEMBL9215395 0.79 AHR (0.73) AHR
SCHEMBL7202544 0.75 AHR (0.59) AHRMEN1KMT2ACDK1CCNB1
SCHEMBL1804174 0.73 AHR (1.00) AHR
SCHEMBL1803931 0.72 AHR (0.68) AHRMEN1KMT2A
SCHEMBL29375526 0.72 AHR (0.68) AHRMEN1KMT2A
SCHEMBL8120005 0.70 AHR (0.64) AHR
SCHEMBL6472813 0.70 AHR (0.64) AHR
SCHEMBL2281295 0.68 AHR (1.00) AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140063-A USE OF THE ARYL HYDROCARBON (AH) RECEPTOR PROTEIN COMPLEX AS A DRUG TARGET, ALONE OR IN COMBINATION WITH ANOTHER COMPOUND, TO TREAT CYTOPATHIC CELL CHANGES AND VIRAL INFECTIONS GENERALLY PARACELSIAN, INC. (US) 2000-10-31 US disclosed