SCHEMBL8896693

SCHEMBL8896693

CCCN(C(N)=O)c1ccc(OCCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
THRB P10828 3/20 0.37
THRA P10827 2/20 0.37
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 2/20 0.33
BCHE P06276 4/20 0.32
ACHE P22303 4/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
RECQL P46063 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
SCHEMBL8896182 0.87 HTT (0.38) HTTTHRBTHRAPOLBKDM4E
SCHEMBL8895441 0.84 THRB (0.39) THRBTHRAPOLB
SCHEMBL8896090 0.82 HTT (0.40) HTTTHRBTHRAKDM4EBCHE
SCHEMBL8895659 0.81 THRB (0.40) HTTTHRBTHRAPOLBBCHE
SCHEMBL8895295 0.80 POLB (0.40) HTTTHRBTHRAPOLB
SCHEMBL8656526 0.80 NR5A1 (0.46) HTTTHRBTHRA
SCHEMBL8021472 0.78 HTT (0.43) HTTTHRBTHRA
SCHEMBL5484724 0.78 HTT (0.41) HTTTHRBTHRAKDM4ERECQL
SCHEMBL6548648 0.78 L3MBTL1 (0.55) HTTPOLBKDM4EFFAR1FFAR4
SCHEMBL7965728 0.78 HTT (0.39) HTTKDM4E

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
WO-1997027173-A2 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-31 WO disclosed