SCHEMBL8895523

SCHEMBL8895523

CCCN(CCC)C(=O)Nc1ccc(OCCCCOc2c(Cl)cc(O)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
MAPT P10636 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 8/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8895035 0.85 POLB (0.45) HRH3MAPTL3MBTL1
SCHEMBL8896987 0.83 POLB (0.45) HRH3MAPTL3MBTL1
SCHEMBL8894857 0.83 SRD5A1 (0.43) MAPTGAA
SCHEMBL8895444 0.81 KMT2A (0.50) HTTRECQLHRH3MAPTGAA
SCHEMBL8895517 0.78 CNR1 (0.38) HTTRECQLCNR1CNR2L3MBTL1
SCHEMBL8895868 0.77 TSHR (0.49) MAPTGAA
SCHEMBL8895441 0.76 THRB (0.39)
SCHEMBL8405442 0.75 NR5A1 (0.63) MAPTGAA
SCHEMBL8897476 0.74 BCHE (0.48) GAAFAAH
SCHEMBL8894395 0.73 MEN1 (0.50) MAPTNPSR1

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