SCHEMBL4851441

SCHEMBL4851441

COc1ccc(C(=O)C=Cc2cc(-c3ccccc3Cl)ccc2OCCN(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
DPP4 P27487 4/20 0.50
TNFRSF1A P19438 3/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
RELA Q04206 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 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
SCHEMBL4846089 0.91 MAOB (0.55) MAOBBCHEACHEDPP4TNFRSF1A
SCHEMBL4853297 0.90 BCHE (0.52) MAOBBCHEACHETNFRSF1AKDM4E
SCHEMBL4849165 0.88 BCHE (0.58) MAOBBCHEACHETNFRSF1AMAPT
SCHEMBL4848052 0.87 ABCG2 (0.48) TNFRSF1AKDM4ELMNAMAPTATM
SCHEMBL4845764 0.86 ABCG2 (0.46) TNFRSF1AKDM4ELMNAMAPTATM
SCHEMBL4848206 0.84 MCL1 (0.50) BCHEACHETNFRSF1AABCG2
SCHEMBL4854688 0.84 TUBB4A (0.48) MAOBBCHEACHETNFRSF1AMAPT
SCHEMBL4851437 0.84 TUBB4A (0.48) MAOBBCHEACHETNFRSF1AMAPT
SCHEMBL4854790 0.83 ABCG2 (0.50) TNFRSF1AKDM4ELMNAMAPTATM
SCHEMBL6386830 0.83 ABCG2 (0.52) MAOBBCHEACHEDPP4TNFRSF1A

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 3 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
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US disclosed