SCHEMBL4846136

SCHEMBL4846136

COc1ccc(OC)c(-c2ccc(OCCN(C)C)c(C(=O)/C=C/c3ccccc3CN(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.43
TNFRSF1A P19438 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
APP P05067 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4857401 1.00 MAPT (0.45) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4853913 0.94 MAPT (0.44) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4852385 0.94 MAPT (0.44) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4852586 0.92 HTR7 (0.46) SMN1; SMN2BCHEACHE
SCHEMBL4850209 0.92 HTR7 (0.46) SMN1; SMN2BCHEACHE
SCHEMBL4857415 0.90 TNFRSF1A (0.45) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4847475 0.88 KDM4E (0.39) SMN1; SMN2BCHEACHE
SCHEMBL4849707 0.88 KDM4E (0.39) SMN1; SMN2BCHEACHE
SCHEMBL4852887 0.87 ALDH1A1 (0.42) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4846148 0.87 ALDH1A1 (0.42) MAPTLMNAGAAATMSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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