SCHEMBL4848158

SCHEMBL4848158

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.54
PTPN1 P18031 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP4B1 P13584 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP3A5 P20815 1/20 0.46
CYP2A7 P20853 1/20 0.46
CYP3A7 P24462 1/20 0.46
CYP2F1 P24903 1/20 0.46
CYP2C18 P33260 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2J2 P51589 1/20 0.46

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
SCHEMBL4845712 0.92 HTR7 (0.47) ERN1PTPN1ALDH1A1HTR7MAOB
SCHEMBL14448836 0.86 KDM4E (0.51) ERN1PTPN1ALDH1A1HTR7MAOB
SCHEMBL4856225 0.85 HTR7 (0.62) ERN1PTPN1ALDH1A1CYP1A2CYP3A4
SCHEMBL20456047 0.82 ALDH1A1 (0.61) ERN1PTPN1ALDH1A1CYP1A1CYP1A2
SCHEMBL11369904 0.79 KDM4E (0.50) ERN1PTPN1ALDH1A1CYP1A2CYP2D6
SCHEMBL4855859 0.79 HTR7 (0.51) ERN1ALDH1A1HTR7MCHR1KDM4E
SCHEMBL4852387 0.77 PDE4A (0.46) PTPN1ALDH1A1MCHR1RAB9A
SCHEMBL15474984 0.77 MAOB (0.62) ALDH1A1CYP2C19HTR7MAOBKDM4E
SCHEMBL4845580 0.77 SLC6A9 (0.49) ALDH1A1HTR7MCHR1KDM4E
SCHEMBL4853715 0.76 ALDH1A1 (0.60) ALDH1A1HTR7MCHR1KDM4E

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 4 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
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