SCHEMBL4852947

SCHEMBL4852947

COc1ccc(OC)c(C=CC(=O)c2cccc(OCCCN(C)C)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.59
PTPN1 P18031 2/20 0.55
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
BCHE P06276 4/20 0.52
ACHE P22303 4/20 0.52
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL4857305 1.00 ABCG2 (0.59) ABCG2PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL4845314 0.95 ABCG2 (0.60) ABCG2PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL4854071 0.95 ABCG2 (0.60) ABCG2PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL4853019 0.92 MAPT (0.61) ABCG2PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL4854277 0.92 MAPT (0.61) ABCG2PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL4850077 0.90 KEAP1 (0.65) PTPN1LMNAMAPTKDM4EKEAP1
SCHEMBL4846703 0.90 KEAP1 (0.65) PTPN1LMNAMAPTKDM4EKEAP1
SCHEMBL4853600 0.87 BCHE (0.51) ABCG2PTPN1LMNAMAPTSMN1; SMN2
SCHEMBL4853528 0.87 ABCG2 (0.56) ABCG2PTPN1LMNASMN1; SMN2KEAP1
SCHEMBL4849936 0.87 BCHE (0.51) ABCG2PTPN1LMNAMAPTSMN1; SMN2

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