SCHEMBL77967

SCHEMBL77967

CC1=C(c2cc(C)ccc2NS(=O)(=O)c2ccc(C)cc2)C(=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
NOD2 Q9HC29 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA1 P00915 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA12 O43570 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL79131 0.90 MAPT (0.47) LMNACYP2C19MAPTALDH1A1USP2
SCHEMBL76978 0.87 LMNA (0.67) LMNACYP2C19MAPTALDH1A1USP2
SCHEMBL77422 0.85 LMNA (0.50) LMNACYP2C19MAPTALDH1A1POLB
SCHEMBL78542 0.83 KMT2A (0.45) LMNACYP2C19MAPTALDH1A1USP2
SCHEMBL77966 0.74 LMNA (0.47) LMNACYP2C19MAPTALDH1A1POLB
SCHEMBL7580401 0.73 CA1 (0.70) LMNACYP2C19MAPTALDH1A1USP2
SCHEMBL77762 0.72 LMNA (0.62) LMNACYP2C19MAPTALDH1A1USP2
SCHEMBL29048726 0.72 FFAR4 (0.77) LMNAMAPTALDH1A1KEAP1NFE2L2
SCHEMBL77919 0.70 MAPT (0.47) LMNACYP2C19MAPTALDH1A1USP2
SCHEMBL5181886 0.69 HSD17B2 (0.78) LMNACYP2C19MAPTALDH1A1USP2

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