SCHEMBL4849955

SCHEMBL4849955

COc1ccc(/C=C/C(=O)c2ccccc2OCCN(C)C)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ABCG2 Q9UNQ0 1/20 0.47
MAOB P27338 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4854910 1.00 MAPT (0.49) MAPTABCG2MAOBPDE4APDE4B
SCHEMBL4849956 0.89 LMNA (0.53) MAPTABCG2MAOBPDE4APDE4B
SCHEMBL4857394 0.89 SLC6A9 (0.46) MAPTNPC1RAB9AALDH1A1BCHE
SCHEMBL4854827 0.89 SLC6A9 (0.46) MAPTNPC1RAB9AALDH1A1BCHE
SCHEMBL4854864 0.89 SLC6A9 (0.46) MAPTNPC1RAB9AALDH1A1BCHE
SCHEMBL4854487 0.89 SLC6A9 (0.46) MAPTNPC1RAB9AALDH1A1BCHE
SCHEMBL4848064 0.88 MAPT (0.45) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL4851264 0.88 MAPT (0.45) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL4855876 0.88 ABCG2 (0.48) MAPTABCG2PDE4APDE4BPDE4C
SCHEMBL4851372 0.88 ABCG2 (0.48) MAPTABCG2PDE4APDE4BPDE4C

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