SCHEMBL78697

SCHEMBL78697

CC1=CC(C)C(C)=C1c1cc(C)cc(C)c1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.58
CYTH2 Q99418 1/20 0.48
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
METAP2 P50579 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NOD2 Q9HC29 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL79208 0.79 LMNA (0.65) SMN1; SMN2POLBALDH1A1USP2LMNA
SCHEMBL5848352 0.76 FFAR4 (1.00) FFAR4CYTH2GABRG2GABRB3GABRA3
SCHEMBL79209 0.69 CA12 (0.43) SMN1; SMN2POLBALDH1A1LMNAMAPT
SCHEMBL23054298 0.66 CYTH2 (1.00) FFAR4CYTH2GABRG2GABRB3GABRA3
SCHEMBL2436550 0.66 FFAR4 (0.77) FFAR4CYTH2GABRG2GABRB3GABRA3
SCHEMBL812686 0.65 FFAR4 (1.00) FFAR4CYTH2GABRG2GABRB3GABRA3
SCHEMBL29048726 0.64 FFAR4 (0.77) FFAR4ALDH1A1LMNAMAPTTP53
SCHEMBL19357604 0.64 FFAR4 (1.00) FFAR4CYTH2GABRG2GABRB3GABRA3
SCHEMBL25767130 0.63 FFAR4 (0.66) FFAR4CYTH2GABRG2GABRB3GABRA3
SCHEMBL18870862 0.63 FFAR4 (0.67) FFAR4CYTH2SMN1; SMN2ALDH1A1USP2

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