SCHEMBL77778

SCHEMBL77778

CC1=CCC(C)=C1c1ccccc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
KDM1A O60341 2/20 0.44
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 1/20 0.42
PARP14 Q460N5 1/20 0.42
MCL1 Q07820 1/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 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
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
TP53 P04637 1/20 0.39
SLC22A12 Q96S37 2/20 0.38
KMT2A Q03164 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
SCHEMBL78568 0.82 LMNA (0.67) L3MBTL1KEAP1NFE2L2LMNAUSP2
SCHEMBL80445 0.74 CETP (0.48) L3MBTL1LMNAUSP2ALDH1A1MAPT
SCHEMBL5673475 0.72 KDM1A (0.51) L3MBTL1KDM1AKEAP1NFE2L2PARP14
SCHEMBL29904739 0.70 KEAP1 (0.65) L3MBTL1KEAP1NFE2L2ALDH1A1KMT2A
SCHEMBL2068498 0.70 KEAP1 (0.65) L3MBTL1KEAP1NFE2L2ALDH1A1KMT2A
SCHEMBL31645593 0.70 KDM1A (0.60) L3MBTL1KDM1AKEAP1NFE2L2PARP14
SCHEMBL4533547 0.70 KDM1A (0.60) L3MBTL1KDM1AKEAP1NFE2L2PARP14
SCHEMBL7183442 0.69 LMNA (0.64) L3MBTL1KDM1AKEAP1NFE2L2PARP14
SCHEMBL79391 0.68 ALDH1A1 (0.44) L3MBTL1USP2ALDH1A1MAPTTP53
SCHEMBL10094332 0.68 L3MBTL1 (0.74) L3MBTL1KDM1AKEAP1NFE2L2PARP14

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