SCHEMBL8660004

SCHEMBL8660004

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
RAB9A P51151 6/20 0.47
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 5/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6547877 0.88 L3MBTL1 (0.51) MAPTHTTL3MBTL1LMNAGAA
SCHEMBL8658181 0.88 HTT (0.41) MAPTRAB9AHTTL3MBTL1GAA
SCHEMBL5690281 0.87 HTT (0.47) MAPTHTTTDP1L3MBTL1GAA
SCHEMBL8894826 0.87 PLA2G4B (0.46) HTTTDP1L3MBTL1POLBALDH1A1
SCHEMBL3969509 0.87 HTT (0.42) MAPTRAB9AHTTL3MBTL1NPC1
SCHEMBL3259018 0.86 HTT (0.43) HTTCA1CA2
SCHEMBL6549825 0.86 HTT (0.43) MAPTRAB9AHTTL3MBTL1NPC1
SCHEMBL6548648 0.86 L3MBTL1 (0.55) MAPTHTTTDP1L3MBTL1LMNA
SCHEMBL8408364 0.86 ALDH1A1 (0.50) MAPTHTTTDP1L3MBTL1NPC1
SCHEMBL6549409 0.85 GAA (0.56) MAPTHTTTDP1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
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
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed