SCHEMBL4853337

SCHEMBL4853337

Cc1cc(C)cc(-c2ccc(OCCN(C)C)c(C(=O)C=Cc3cccc(F)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.44
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
RELA Q04206 3/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 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
SCHEMBL4857314 0.90 MAOA (0.44) SYKBCHEACHEMAOAMAOB
SCHEMBL4853507 0.90 MAOA (0.44) SYKBCHEACHEMAOAMAOB
SCHEMBL6141442 0.89 MAOA (0.46) SYKBCHEACHEMAOAMAOB
SCHEMBL4856235 0.89 MAOA (0.46) SYKBCHEACHEMAOAMAOB
SCHEMBL4854231 0.89 BCHE (0.54) SYKBCHEACHESLC6A9
SCHEMBL4853732 0.89 BCHE (0.54) SYKBCHEACHESLC6A9
SCHEMBL4856632 0.89 SYK (0.44) SYKBCHEACHERELAMAOA
SCHEMBL4857214 0.89 SYK (0.44) SYKBCHEACHERELAMAOA
SCHEMBL4846158 0.88 BCHE (0.41) SYKBCHEACHEMAOBSLC6A9
SCHEMBL4854696 0.88 BCHE (0.41) SYKBCHEACHEMAOBSLC6A9

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
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