SCHEMBL4852755

SCHEMBL4852755

CCCc1cc(C(=O)C=Cc2ccc(OC)cc2F)c(OCCN(C)C)cc1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
PTPN1 P18031 4/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
CHRNA7 P36544 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
APP P05067 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 3/20 0.40

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
SCHEMBL4853051 1.00 MEN1 (0.44) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL4852763 0.90 PTPN1 (0.50) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL4851372 0.83 ABCG2 (0.48) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL4855876 0.83 ABCG2 (0.48) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL4849955 0.83 MAPT (0.49) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL4854910 0.83 MAPT (0.49) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL4847380 0.81 KDM4E (0.45) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL4848181 0.81 KDM4E (0.45) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL4854487 0.80 SLC6A9 (0.46) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL4857394 0.80 SLC6A9 (0.46) MAPTNPC1RAB9ALMNAALDH1A1

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 5 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
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