SCHEMBL4385083

SCHEMBL4385083

CCn1cc(C(=O)OC=O)c(=O)c2cc(CCCOCCN)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36

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
Formic Acid SCHEMBL4385081 0.88 KDM4E (0.53) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL3843176 0.87 KDM4E (0.56) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL13997241 0.86 HPGD (0.55) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL3819899 0.86 LMNA (0.45) LMNAHPGDALDH1A1KDM4EHSD17B10
Trifluoroacetic Acid SCHEMBL3819895 0.83 KDM4E (0.52) LMNAHPGDALDH1A1KDM4EHSD17B10
Formic Acid SCHEMBL4907767 0.81 HPGD (0.53) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL13717375 0.80 HPGD (0.57) LMNAHPGDALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL3810060 0.79 HPGD (0.56) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL5681141 0.79 LMNA (0.54) LMNAHPGDALDH1A1KDM4EHSD17B10
SCHEMBL3978265 0.79 LMNA (0.65) LMNAHPGDALDH1A1KDM4EHSD17B10

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 2 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