SCHEMBL4854815

SCHEMBL4854815

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
ALDH1A1 P00352 4/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TNFRSF1A P19438 1/20 0.59
PTPN1 P18031 2/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
CYP1A1 P04798 4/20 0.53
CYP1B1 Q16678 3/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
KDM4E B2RXH2 2/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
TP53 P04637 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
SCHEMBL4854108 1.00 MAPT (0.63) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4854277 0.95 MAPT (0.61) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4853019 0.95 MAPT (0.61) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4854071 0.92 ABCG2 (0.60) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4845314 0.92 ABCG2 (0.60) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4853601 0.89 KEAP1 (0.63) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4848355 0.89 KEAP1 (0.63) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4853639 0.89 ABCG2 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4851382 0.89 ABCG2 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8154777 0.88 MAPT (0.67) MAPTALDH1A1NPC1RAB9ASMN1; 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