SCHEMBL78472

SCHEMBL78472

CC1=CCC(C)=C1c1cc(F)cc(F)c1NC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
ABL1 P00519 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
RIPK1 Q13546 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL78727 0.80 HTT (0.52) HTTMAPTL3MBTL1GAAALDH1A1
SCHEMBL80445 0.72 CETP (0.48) MAPTL3MBTL1ALDH1A1SMN1; SMN2USP2
SCHEMBL23317645 0.71 HTT (0.57) HTTABL1MAPTL3MBTL1GAA
SCHEMBL8188784 0.69 ALDH1A1 (0.52) HTTMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL78887 0.67 HTT (0.43) HTTMAPTL3MBTL1GAAALDH1A1
SCHEMBL8173414 0.66 HTT (0.38) HTTMAPTL3MBTL1RIPK1GAA
SCHEMBL8173643 0.66 GAA (0.39) HTTL3MBTL1RIPK1GAAALDH1A1
SCHEMBL14590338 0.64 HTT (0.47) HTTMAPTL3MBTL1GAAALDH1A1
SCHEMBL8670078 0.63 HTT (0.35) HTTABL1L3MBTL1RIPK1GAA
SCHEMBL8782474 0.63 HTT (0.42) HTTMAPTL3MBTL1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129488-B2 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2012-03-06 US disclosed
US-20090209712-A1 TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS LG CHEM., LTD. (KR) 2009-08-20 US disclosed
US-7538239-B2 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2009-05-26 US disclosed
WO-2007007992-A1 TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS LG CHEM, LTD. (KR) 2007-01-18 WO disclosed
US-20070010637-A1 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2007-01-11 US disclosed