SCHEMBL4852989

SCHEMBL4852989

COc1ccc(C=CC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2OCCN(C)C)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TNFRSF1A P19438 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 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
RXRA P19793 4/20 0.38
PPARG P37231 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX12 P18054 1/20 0.38

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 1.00 MAPT (0.40) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4848041 0.89 LMNA (0.44) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4848181 0.87 KDM4E (0.45) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4847380 0.87 KDM4E (0.45) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4847397 0.81 LMNA (0.49) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4851372 0.79 ABCG2 (0.48) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4855876 0.79 ABCG2 (0.48) MAPTLMNAGAAATMSMN1; SMN2
SCHEMBL4853369 0.79 KEAP1 (0.36) TNFRSF1ARXRAPPARGALDH1A1KDM4E
SCHEMBL4857362 0.79 KEAP1 (0.36) TNFRSF1ARXRAPPARGALDH1A1KDM4E
SCHEMBL4854910 0.78 MAPT (0.49) MAPTLMNAGAAATMSMN1; 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 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