SCHEMBL8658181

SCHEMBL8658181

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
MAPT P10636 3/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PLAU P00749 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL8660004 0.88 MAPT (0.51) HTTCA1CA2MAPTL3MBTL1
SCHEMBL6547877 0.85 L3MBTL1 (0.51) HTTMAPTL3MBTL1FFAR1FFAR4
SCHEMBL8408364 0.85 ALDH1A1 (0.50) HTTTSHRMAPTL3MBTL1FFAR1
SCHEMBL5690281 0.84 HTT (0.47) HTTTSHRMAPTPLAUL3MBTL1
SCHEMBL8894826 0.84 PLA2G4B (0.46) HTTTSHRPLAUL3MBTL1MAPK1
SCHEMBL8406348 0.84 HTT (0.40) HTTMAPTPLAUL3MBTL1FFAR4
SCHEMBL6549825 0.84 HTT (0.43) HTTMAPTL3MBTL1MEN1KMT2A
SCHEMBL3259018 0.84 HTT (0.43) HTTCA1CA2
SCHEMBL6548648 0.83 L3MBTL1 (0.55) HTTMAPTL3MBTL1FFAR1FFAR4
SCHEMBL8405795 0.83 CA12 (0.50) TSHRCA12CA1CA2CA7

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 3 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
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