SCHEMBL76789

SCHEMBL76789

CC1=CCC(C)=C1c1cc(C)ccc1NS(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
CYTH2 Q99418 1/20 0.48
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL78914 0.90 LMNA (0.46) LMNASMN1; SMN2MCOLN3CYTH2ALDH1A1
SCHEMBL78132 0.89 LMNA (0.46) LMNASMN1; SMN2MCOLN3CYTH2ALDH1A1
SCHEMBL79126 0.88 LMNA (0.62) LMNASMN1; SMN2MCOLN3CYTH2ALDH1A1
SCHEMBL77849 0.82 LMNA (0.43) LMNASMN1; SMN2MCOLN3CYTH2ALDH1A1
SCHEMBL77422 0.80 LMNA (0.50) LMNASMN1; SMN2MCOLN3CYTH2ALDH1A1
SCHEMBL5612820 0.76 LMNA (0.50) LMNASMN1; SMN2MCOLN3CYTH2ALDH1A1
SCHEMBL77919 0.76 MAPT (0.47) LMNAMCOLN3ALDH1A1NPSR1HTT
SCHEMBL78568 0.72 LMNA (0.67) LMNASMN1; SMN2MCOLN3ALDH1A1NPSR1
SCHEMBL78569 0.70 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL77966 0.70 LMNA (0.47) LMNASMN1; SMN2MCOLN3CYTH2ALDH1A1

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