SCHEMBL4854976

SCHEMBL4854976

CNCCCCOc1ccc(-c2ccccc2C)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
HRH1 P35367 2/20 0.42
SLC6A4 P31645 1/20 0.42
PTPN11 Q06124 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40

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
SCHEMBL4846246 0.85 ALDH1A1 (0.42) CYP1A2CYP3A4TSHRLMNAALDH1A1
SCHEMBL4855017 0.83 KDM4E (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4852186 0.81 SLC6A9 (0.46) CYP1A2ALDH1A1KDM4EMAPTMEN1
SCHEMBL4849739 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7936530 0.80 ERN1 (0.51) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL4845580 0.80 SLC6A9 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4849189 0.79 CYP2D6 (0.53) L3MBTL1TP53LMNAALDH1A1KDM4E
SCHEMBL4852357 0.79 SLC6A9 (0.42) CYP1A2CYP3A4TSHRCYP2C9ALDH1A1
SCHEMBL4846256 0.78 SLC6A9 (0.41) CYP1A2CYP3A4TSHRCYP2C9ALDH1A1
SCHEMBL4856576 0.78 CYP2D6 (0.52) CYP1A2CYP3A4L3MBTL1TP53CYP2C9

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 4 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
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