SCHEMBL4847320

SCHEMBL4847320

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C=CC(=O)c3ccc(O)c(F)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.44
TNFRSF1A P19438 3/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KDR P35968 1/20 0.39
PTPN1 P18031 2/20 0.39
P4HB P07237 2/20 0.39
SYK P43405 1/20 0.38
DPP4 P27487 4/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4847755 0.91 TNFRSF1A (0.46) SNCATNFRSF1APTPN1THRATHRB
SCHEMBL4853546 0.89 SNCA (0.48) SNCABCHEACHEPTPN1P4HB
SCHEMBL4847119 0.89 SNCA (0.41) SNCATNFRSF1ABCHEACHEPTPN1
SCHEMBL4856242 0.88 BCHE (0.45) TNFRSF1ABCHEACHESYK
SCHEMBL4852218 0.87 CAPN1 (0.50) TNFRSF1ABCHEACHEPTPN1DPP4
SCHEMBL4853345 0.86 RELA (0.48) TNFRSF1ABCHEACHEKDRPTPN1
SCHEMBL14280884 0.85 BCHE (0.46) TNFRSF1ABCHEACHEPTPN1
SCHEMBL4849986 0.85 BCHE (0.46) TNFRSF1ABCHEACHEPTPN1
SCHEMBL4853514 0.85 NR1H4 (0.47) BCHEACHEKDRP4HBDPP4
SCHEMBL4849921 0.84 BCHE (0.45) TNFRSF1ABCHEACHEPTPN1SYK

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 3 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