SCHEMBL4852790

SCHEMBL4852790

COc1ccc(/C=C/C(=O)c2cc(-c3ccccc3C)ccc2OCCN(C)C)cc1CN(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.49
ACHE P22303 6/20 0.49
RECQL P46063 1/20 0.46
SLC6A9 P48067 1/20 0.44
TUBB4A P04350 4/20 0.44
TUBB P07437 4/20 0.44
TUBA3C P0DPH7 4/20 0.44
TUBA1B P68363 4/20 0.44
TUBA4A P68366 4/20 0.44
TUBB4B P68371 4/20 0.44
TUBB3 Q13509 4/20 0.44
TUBB2A Q13885 4/20 0.44
TUBB8 Q3ZCM7 4/20 0.44
TUBA3E Q6PEY2 4/20 0.44
TUBA1A Q71U36 4/20 0.44
TUBA1C Q9BQE3 4/20 0.44
TUBB6 Q9BUF5 4/20 0.44
TUBB2B Q9BVA1 4/20 0.44
TUBB1 Q9H4B7 4/20 0.44
LMNA P02545 2/20 0.43

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
SCHEMBL4857422 1.00 BCHE (0.49) BCHEACHERECQLSLC6A9TUBB4A
SCHEMBL4848146 0.93 SLC6A9 (0.44) BCHEACHESLC6A9TUBB4ATUBB
SCHEMBL4849675 0.93 SLC6A9 (0.44) BCHEACHESLC6A9TUBB4ATUBB
SCHEMBL4851256 0.88 SLC6A9 (0.46) BCHEACHESLC6A9APPMAOA
SCHEMBL4853292 0.88 TUBB4A (0.49) BCHEACHESLC6A9TUBB4ATUBB
SCHEMBL4853453 0.88 TUBB4A (0.49) BCHEACHESLC6A9TUBB4ATUBB
SCHEMBL4856617 0.88 SLC6A9 (0.46) BCHEACHESLC6A9APPMAOA
SCHEMBL4854959 0.87 SLC6A9 (0.47) BCHEACHESLC6A9TUBB4ATUBB
SCHEMBL4856397 0.87 SLC6A9 (0.47) BCHEACHESLC6A9TUBB4ATUBB
SCHEMBL4847435 0.86 SLC6A9 (0.46) BCHEACHESLC6A9KDM4ESMN1; SMN2

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