SCHEMBL4857415

SCHEMBL4857415

COc1ccc(OC)c(-c2ccc(OCCN(C)C)c(C=CC(=O)c3ccccc3CN(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
RELA Q04206 1/20 0.41
APP P05067 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL4852387 0.94 PDE4A (0.46) TNFRSF1APDE4APDE4BPDE4CPDE4D
SCHEMBL6394376 0.92 HTR7 (0.46) SMN1; SMN2BCHEACHE
SCHEMBL4846136 0.90 MAPT (0.45) TNFRSF1APDE4APDE4BPDE4CPDE4D
SCHEMBL4857401 0.90 MAPT (0.45) TNFRSF1APDE4APDE4BPDE4CPDE4D
SCHEMBL4847477 0.88 ALDH1A1 (0.40) SMN1; SMN2APPBCHEACHE
SCHEMBL4846157 0.86 BCHE (0.42) TNFRSF1ABCHEACHE
SCHEMBL4851092 0.86 ALDH1A1 (0.42) SMN1; SMN2BCHEACHE
SCHEMBL4849336 0.86 TNFRSF1A (0.44) TNFRSF1APDE4APDE4BPDE4CPDE4D
SCHEMBL4846143 0.86 TNFRSF1A (0.44) TNFRSF1APDE4APDE4BPDE4CPDE4D
SCHEMBL4848073 0.85 HTR7 (0.41) SMN1; SMN2BCHEACHE

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
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US 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