SCHEMBL4851264

SCHEMBL4851264

COc1ccc(C=CC(=O)c2cc(-c3ccccc3OC)ccc2OCCN(C)C)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TNFRSF1A P19438 2/20 0.44
HTR7 P34969 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42

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
SCHEMBL4848064 1.00 MAPT (0.45) MAPTSMN1; SMN2LMNAGAAATM
SCHEMBL4848486 0.92 SLC6A9 (0.45) MAPTSMN1; SMN2LMNAGAAATM
SCHEMBL4852348 0.92 SLC6A9 (0.45) MAPTSMN1; SMN2LMNAGAAATM
SCHEMBL4848047 0.92 SLC6A9 (0.46) MAPTSMN1; SMN2LMNAGAAATM
SCHEMBL4854239 0.92 SLC6A9 (0.46) MAPTSMN1; SMN2LMNAGAAATM
SCHEMBL4848072 0.90 LMNA (0.48) MAPTSMN1; SMN2LMNAGAAATM
SCHEMBL4854827 0.90 SLC6A9 (0.46) MAPTSMN1; SMN2LMNAGAAATM
SCHEMBL4854487 0.90 SLC6A9 (0.46) MAPTSMN1; SMN2LMNAGAAATM
SCHEMBL4857394 0.90 SLC6A9 (0.46) MAPTSMN1; SMN2LMNAGAAATM
SCHEMBL4854864 0.90 SLC6A9 (0.46) MAPTSMN1; SMN2LMNAGAAATM

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
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
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP disclosed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed