SCHEMBL4853780

SCHEMBL4853780

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C(=O)/C=C/c3ccc(OCCN(C)C)cc3F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.43
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC6A9 P48067 3/20 0.37
XDH P47989 1/20 0.37
MAOB P27338 1/20 0.37
ALOX5 P09917 1/20 0.36
ESR1 P03372 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.35
TNFRSF1A P19438 1/20 0.35

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
SCHEMBL4854730 1.00 SYK (0.43) SYKACHEBCHEKDM4EALDH1A1
SCHEMBL4852466 0.95 MAPT (0.42) SYKKDM4EALDH1A1SLC6A9TNFRSF1A
SCHEMBL4846630 0.95 MAPT (0.42) SYKKDM4EALDH1A1SLC6A9TNFRSF1A
SCHEMBL4854062 0.91 SYK (0.43) SYKKDM4ESLC6A9TNFRSF1A
SCHEMBL4854543 0.91 SYK (0.43) SYKKDM4ESLC6A9TNFRSF1A
SCHEMBL4853788 0.90 MEN1 (0.40) SYKACHEBCHEKDM4EALDH1A1
SCHEMBL4849970 0.89 SYK (0.44) SYKACHEBCHEKDM4EALDH1A1
SCHEMBL4852900 0.89 SYK (0.44) SYKACHEBCHEKDM4EALDH1A1
SCHEMBL4852245 0.84 SYK (0.45) SYKACHEBCHEKDM4EALDH1A1
SCHEMBL4849808 0.84 SYK (0.45) SYKACHEBCHEKDM4EALDH1A1

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