SCHEMBL4848041

SCHEMBL4848041

COc1ccc(C(=O)C=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2OCCN(C)C)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX12 P18054 1/20 0.44
MAPT P10636 3/20 0.39
TNFRSF1A P19438 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL4848034 0.89 MAPT (0.40) LMNAMEN1KMT2AHPGDGAA
SCHEMBL4852989 0.89 MAPT (0.40) LMNAMEN1KMT2AHPGDGAA
SCHEMBL4847397 0.86 LMNA (0.49) LMNAMEN1KMT2AHPGDGAA
SCHEMBL4849956 0.79 LMNA (0.53) LMNAMEN1KMT2AHPGDGAA
SCHEMBL4847380 0.78 KDM4E (0.45) LMNAMEN1KMT2AHPGDGAA
SCHEMBL4848181 0.78 KDM4E (0.45) LMNAMEN1KMT2AHPGDGAA
SCHEMBL4855883 0.78 HPGD (0.52) LMNAMEN1KMT2AHPGDGAA
SCHEMBL4853375 0.77 MAOB (0.37) TNFRSF1AAPPFLT3BCHEACHE
SCHEMBL4854497 0.75 MEN1 (0.48) LMNAMEN1KMT2AHPGDGAA
SCHEMBL4851385 0.74 APP (0.59) LMNAMEN1KMT2AHPGDGAA

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