SCHEMBL79209

SCHEMBL79209

CC1=CC(C)C(C)=C1c1cc(C)ccc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MCL1 Q07820 1/20 0.38
ALPL P05186 1/20 0.38
IDH1 O75874 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL78569 0.77 ALDH1A1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL5616417 0.75 ELANE (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL3769067 0.70 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL3762799 0.70 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL29688324 0.70 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL79208 0.70 LMNA (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL5616583 0.68 KDM4E (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL3842057 0.67 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL23886945 0.67 CA12 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL4338551 0.67 CA12 (0.51) CA12CA1CA2CA9ALDH1A1

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
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
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