SCHEMBL4852218

SCHEMBL4852218

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C=CC(=O)c3ccc(O)cc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.50
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CTSL P07711 3/20 0.45
CTSB P07858 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
DPP4 P27487 3/20 0.44
PTPN1 P18031 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 2/20 0.42
TNFRSF1A P19438 1/20 0.41
CHRNA7 P36544 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL14280884 0.92 BCHE (0.46) CAPN1BCHEACHECTSLCTSB
SCHEMBL4849986 0.92 BCHE (0.46) CAPN1BCHEACHECTSLCTSB
SCHEMBL4849921 0.91 BCHE (0.45) BCHEACHEDPP4PTPN1LMNA
SCHEMBL4856242 0.91 BCHE (0.45) BCHEACHECTSLCTSBLMNA
SCHEMBL4853736 0.91 BCHE (0.52) BCHEACHELMNATNFRSF1AMAPT
SCHEMBL6386830 0.90 ABCG2 (0.52) BCHEACHEDPP4PTPN1LMNA
SCHEMBL4853514 0.89 NR1H4 (0.47) CAPN1BCHEACHEDPP4CHRNA7
SCHEMBL4848121 0.88 BCHE (0.55) CAPN1BCHEACHECTSLCTSB
SCHEMBL4847320 0.87 SNCA (0.44) BCHEACHEDPP4PTPN1TNFRSF1A
SCHEMBL4847749 0.87 ACHE (0.42) BCHEACHELMNATNFRSF1AMAPT

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