SCHEMBL6570768

SCHEMBL6570768

CCCC[Sn](CCCC)(CCCC)c1cc(C(=O)OC)cc(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
LMNA P02545 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6570774 0.94 PLA2G2A (0.41) KDM4ELMNACA12CA1CA2
SCHEMBL3855292 0.87 LMNA (0.37) KDM4ELMNACA12CA1CA2
SCHEMBL5952565 0.83 NPC1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL3208573 0.83 ATM (0.50) KDM4ELMNAALDH1A1L3MBTL1NPC1
SCHEMBL2720868 0.79 PTPN11 (0.46) KDM4ECA12CA1CA2CA7
SCHEMBL9194946 0.78 MAPT (0.46) KDM4ELMNAPOLBL3MBTL1GAA
SCHEMBL28446209 0.77 CYP4A11 (0.48) CA12CA1CA2CA7CA9
SCHEMBL3722703 0.77 KDM4E (0.43) KDM4ELMNACA12CA1CA2
SCHEMBL28492737 0.77 ESR1 (0.32) LMNAALDH1A1POLBESR1CYP1A2
SCHEMBL937881 0.75 NPC1 (0.37) KDM4ELMNACA12CA1CA2

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
EP-1140072-B1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-04-14 EP disclosed
EP-1140072-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-04-16 EP disclosed
EP-1140072-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040239-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-13 WO disclosed