SCHEMBL8894477

SCHEMBL8894477

C=CCN(CC=C)C(=O)c1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.40
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LSS P48449 10/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 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
SCHEMBL8895765 0.98 LSS (0.39) F2HTTALDH1A1L3MBTL1LSS
SCHEMBL8895854 0.88 HTT (0.38) F2HTTALDH1A1L3MBTL1LSS
SCHEMBL8896466 0.86 LSS (0.39) F2HTTALDH1A1L3MBTL1LSS
SCHEMBL8895295 0.86 POLB (0.40) F2HTTPOLB
SCHEMBL8897559 0.85 F2 (0.42) F2HTTALDH1A1L3MBTL1LSS
SCHEMBL8896291 0.85 TSHR (0.43) HTTALDH1A1POLB
SCHEMBL8910421 0.85 MEN1 (0.36) F2HTTALDH1A1L3MBTL1LSS
SCHEMBL8895029 0.83 MAOB (0.41) HTTL3MBTL1POLB
SCHEMBL8895659 0.83 THRB (0.40) HTTPOLB
SCHEMBL8894781 0.83 LSS (0.37) F2HTTALDH1A1L3MBTL1LSS

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