SCHEMBL4845554

SCHEMBL4845554

COc1ccc(OC)c(C(=O)C=Cc2ccc(OCCN(C)C)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.73
PDE4A P27815 1/20 0.65
PDE4B Q07343 1/20 0.65
PDE4C Q08493 1/20 0.65
PDE4D Q08499 1/20 0.65
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
MAPT P10636 3/20 0.57
TNFRSF1A P19438 1/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
TLR9 Q9NR96 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
APP P05067 2/20 0.54

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
SCHEMBL4851201 1.00 ABCG2 (0.73) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL4845309 0.89 ABCG2 (0.60) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL4851228 0.89 ABCG2 (0.60) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL1425360 0.87 ABCG2 (0.78) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL1425355 0.87 ABCG2 (0.78) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL5915651 0.86 ABCG2 (0.73) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL5915523 0.86 ABCG2 (0.73) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL4852282 0.85 TUBB1 (0.58) ABCG2BCHEACHEMAPTTNFRSF1A
SCHEMBL4856367 0.84 MAPT (0.60) ABCG2PDE4APDE4BPDE4CPDE4D
SCHEMBL4856281 0.84 MAPT (0.60) ABCG2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US claimed
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP claimed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO claimed
US-7423181-B2 in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone LICA PHARMACEUTICALS A/S (DK) 2008-09-09 US disclosed
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US disclosed
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP disclosed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed