SCHEMBL4848487

SCHEMBL4848487

COc1ccc(C(=O)C=Cc2cc(-c3ccccc3C)ccc2OCCN(C)C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX12 P18054 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
TNFRSF1A P19438 1/20 0.42
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
ABCG2 Q9UNQ0 1/20 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
SCHEMBL4846183 0.96 LMNA (0.45) LMNAMEN1HPGDKMT2AGAA
SCHEMBL4848072 0.92 LMNA (0.48) LMNAMEN1HPGDKMT2AGAA
SCHEMBL4852348 0.91 SLC6A9 (0.45) LMNAMEN1HPGDKMT2AGAA
SCHEMBL4848486 0.91 SLC6A9 (0.45) LMNAMEN1HPGDKMT2AGAA
SCHEMBL4848052 0.91 ABCG2 (0.48) LMNAMEN1HPGDKMT2AGAA
SCHEMBL4848038 0.90 ABCG2 (0.47) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL4854497 0.89 MEN1 (0.48) LMNAMEN1HPGDKMT2AGAA
SCHEMBL4849336 0.87 TNFRSF1A (0.44) LMNAMEN1KMT2AGAAPDE4A
SCHEMBL4846635 0.87 LMNA (0.48) LMNAMEN1HPGDKMT2AGAA
SCHEMBL4853297 0.87 BCHE (0.52) LMNATNFRSF1AMAPTATMSMN1; 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 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