SCHEMBL4391029

SCHEMBL4391029

CCn1cc(C(=O)OC(=O)C(F)(F)F)c(=O)c2cc(SCCNCCN)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL3980217 0.92 LMNA (0.48) LMNAMAPK1ALDH1A1HPGDKDM4E
Trifluoroacetic Acid SCHEMBL4391023 0.87 KDM4E (0.48) LMNAMAPK1ALDH1A1HPGDKDM4E
SCHEMBL5479980 0.84 LMNA (0.41) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3296598 0.80 LMNA (0.35) LMNAMAPK1ALDH1A1HPGDKDM4E
Trifluoroacetic Acid SCHEMBL3820204 0.80 LMNA (0.59) LMNAMAPK1ALDH1A1HPGDKDM4E
SCHEMBL3982424 0.78 LMNA (0.48) LMNAMAPK1ALDH1A1HPGDKDM4E
Trifluoroacetic Acid SCHEMBL3980213 0.78 KDM4E (0.55) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3815630 0.78 HPGD (0.48) LMNAMAPK1ALDH1A1HPGDKDM4E
SCHEMBL5469836 0.77 LMNA (0.49) LMNAMAPK1ALDH1A1HPGDKDM4E
SCHEMBL3819899 0.76 LMNA (0.45) LMNAMAPK1ALDH1A1HPGDKDM4E

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-1628990-B1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1628990-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101588-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed