SCHEMBL6619595

SCHEMBL6619595

COC(=O)OC1(CCCCCBr)Cc2cc(OC)c(OC)cc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6620892 0.99 CA1 (0.35) CA1CA2CA7CA9KDM4E
SCHEMBL5364385 0.81 KDM4E (0.40) CA1CA2CA7CA9KDM4E
SCHEMBL5359312 0.79 KDM4E (0.41) CA1CA2CA7CA9KDM4E
SCHEMBL9358766 0.76 KDM4E (0.43) CA1CA2CA7CA9KDM4E
SCHEMBL27593283 0.74 KDM4E (0.37) CA1CA2CA7CA9KDM4E
SCHEMBL27593324 0.70 KDM4E (0.39) CA1CA2CA7CA9KDM4E
SCHEMBL5666036 0.66 CA1 (0.44) CA1CA2CA7CA9KDM4E
SCHEMBL29713976 0.66 SMN1; SMN2 (0.49) CA1CA2CA7CA9KDM4E
SCHEMBL27188910 0.66 SMN1; SMN2 (0.49) CA1CA2CA7CA9KDM4E
SCHEMBL13988029 0.65 KDM4E (0.45) CA1CA2CA7CA9KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181294-B1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AG (AT) 2004-03-31 EP disclosed
EP-1181294-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2002-02-27 EP disclosed
WO-2001074820-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2001-10-11 WO disclosed