SCHEMBL4849679

SCHEMBL4849679

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C=CC(=O)c3cccc(N4CCN(C)CC4)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
PTPN1 P18031 2/20 0.43
TLR9 Q9NR96 1/20 0.39
ABCB1 P08183 2/20 0.38
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38
PRKD1 Q15139 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL4849673 0.84 ABCB1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4855932 0.84 ABCB1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4846169 0.83 BCHE (0.42) PTPN1BCHEACHETNFRSF1AKDM4E
SCHEMBL4853514 0.83 NR1H4 (0.47) BCHEACHE
SCHEMBL4853736 0.83 BCHE (0.52) BCHEACHETNFRSF1AKDM4ENPC1
SCHEMBL4853345 0.82 RELA (0.48) HDAC11HDAC8HDAC6PTPN1BCHE
SCHEMBL4856637 0.82 LMNA (0.45) PTPN1TLR9BCHEACHETNFRSF1A
SCHEMBL4848059 0.81 MAOB (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4854246 0.81 SYK (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4846060 0.79 MAPT (0.50) BCHEACHEKDM4EMEN1NPC1

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