SCHEMBL4847824

SCHEMBL4847824

COc1ccc(C=CC(=O)c2cc(C)ccc2OCCN(C)C)cc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.55
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
TNFRSF1A P19438 1/20 0.50
MCL1 Q07820 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL4853445 1.00 TUBB1 (0.55) TUBB1BCHEACHEABCG2TNFRSF1A
SCHEMBL4854223 0.90 MCL1 (0.53) BCHEACHEMCL1KMT2AMAPT
SCHEMBL4853541 0.90 MCL1 (0.53) BCHEACHEMCL1KMT2AMAPT
SCHEMBL4847787 0.89 TUBB1 (0.51) TUBB1BCHEACHETNFRSF1AMCL1
SCHEMBL4847751 0.89 TUBB1 (0.51) TUBB1BCHEACHETNFRSF1AMCL1
SCHEMBL4852536 0.87 TUBB1 (0.53) TUBB1BCHEACHEABCG2TNFRSF1A
SCHEMBL4853707 0.87 TUBB1 (0.53) TUBB1BCHEACHEABCG2TNFRSF1A
SCHEMBL4855876 0.82 ABCG2 (0.48) ABCG2TNFRSF1APDE4APDE4BPDE4C
SCHEMBL4851372 0.82 ABCG2 (0.48) ABCG2TNFRSF1APDE4APDE4BPDE4C
SCHEMBL4847832 0.80 ABCG2 (0.46) TUBB1BCHEACHEABCG2TNFRSF1A

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