SCHEMBL6570774

SCHEMBL6570774

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.41
KDM4E B2RXH2 7/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FUT7 Q11130 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
SCHEMBL6570768 0.94 KDM4E (0.44) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL3855292 0.81 LMNA (0.37) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL5156805 0.81 L3MBTL1 (0.35) KDM4EALDH1A1POLBL3MBTL1TSHR
SCHEMBL5952565 0.78 NPC1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL3208573 0.78 ATM (0.50) KDM4ELMNAALDH1A1L3MBTL1NPC1
SCHEMBL7234945 0.77 CA12 (0.60) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL9121827 0.77 CA12 (0.60) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL2772131 0.76 PLA2G2A (0.67) PLA2G2ARAB9AMAPTTSHR
Methyl Alcohol SCHEMBL28269742 0.75 CA12 (0.58) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL2720868 0.74 PTPN11 (0.46) KDM4EALDH1A1CA12CA1CA2

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 1 patent. 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