SCHEMBL4846060

SCHEMBL4846060

CC(=O)Nc1cccc(C(=O)C=Cc2cc(-c3cc(C)cc(C)c3)ccc2OCCN(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
LMNA P02545 7/20 0.50
ATM Q13315 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 4/20 0.48
RECQL P46063 2/20 0.48
POLB P06746 1/20 0.48
NTSR1 P30989 1/20 0.45
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
KDR P35968 5/20 0.43
MCHR1 Q99705 1/20 0.42
BCHE P06276 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
SCHEMBL4846042 1.00 MAPT (0.50) MAPTLMNAATMMEN1KMT2A
SCHEMBL4852888 0.89 HCRTR2 (0.42) MAPTLMNAATMMEN1KMT2A
SCHEMBL4853514 0.86 NR1H4 (0.47) KDRBCHEACHE
SCHEMBL4853736 0.86 BCHE (0.52) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL4853345 0.85 RELA (0.48) KDRBCHEACHE
SCHEMBL4856637 0.85 LMNA (0.45) MAPTLMNAATMMEN1KMT2A
SCHEMBL4846169 0.84 BCHE (0.42) KDM4EKDRBCHEACHE
SCHEMBL4849986 0.81 BCHE (0.46) BCHEACHE
SCHEMBL14280884 0.81 BCHE (0.46) BCHEACHE
SCHEMBL4852218 0.81 CAPN1 (0.50) MAPTLMNARAB9APOLBBCHE

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