SCHEMBL4852265

SCHEMBL4852265

COc1ccc(C=CC(=O)c2cc(-c3cc(C)cc(C)c3)ccc2OCCN(C)C)c(CN(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SYK P43405 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TNFRSF1A P19438 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4854576 1.00 MAPT (0.41) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL14280890 0.92 PDE4A (0.46) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL4852271 0.92 PDE4A (0.46) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL4852466 0.89 MAPT (0.42) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL4848276 0.89 ABCG2 (0.44) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL4846630 0.89 MAPT (0.42) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL4848331 0.89 ABCG2 (0.44) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL4853060 0.88 SYK (0.42) MAPTALDH1A1SYKLMNAGAA
SCHEMBL4852981 0.88 SYK (0.42) MAPTALDH1A1SYKLMNAGAA
SCHEMBL4854085 0.86 ABCG2 (0.51) MAPTPDE4APDE4BPDE4CPDE4D

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