SCHEMBL8896090

SCHEMBL8896090

CCCN(CCC)C(=O)Oc1ccc(OCCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
SRD5A1 P18405 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AHR P35869 1/20 0.36
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL8895659 0.87 THRB (0.40) HTTTHRBTHRAGAABCHE
SCHEMBL8895295 0.86 POLB (0.40) HTTTHRBTHRAAHR
SCHEMBL8894857 0.84 SRD5A1 (0.43) THRBTHRASRD5A1MEN1KMT2A
SCHEMBL7982048 0.83 THRB (0.41) HTTTHRBTHRAMEN1KMT2A
SCHEMBL7982102 0.82 THRB (0.42) HTTTHRBTHRAAHRKDM4E
SCHEMBL8896693 0.82 HTT (0.38) HTTTHRBTHRAKDM4EFFAR1
SCHEMBL8656526 0.81 NR5A1 (0.46) HTTTHRBTHRANPC1LMNA
SCHEMBL8896291 0.81 TSHR (0.43) HTTTHRBTHRABCHE
SCHEMBL8021472 0.80 HTT (0.43) HTTTHRBTHRANPC1GAA
SCHEMBL5484724 0.80 HTT (0.41) HTTTHRBTHRAMEN1KMT2A

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