SCHEMBL4854750

SCHEMBL4854750

COc1ccccc1-c1ccc(OCCN(C)C)c(C(=O)C=Cc2ccc(O)cc2N2CCN(C)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 3/20 0.40
NR1H4 Q96RI1 2/20 0.39
SLC6A9 P48067 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTR7 P34969 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
SCHEMBL4849755 1.00 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL4849768 0.92 NR1H4 (0.42) KDM4EALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL4854240 0.86 SYK (0.38) SLC6A9CHRNA7
SCHEMBL6141604 0.86 SYK (0.38) SLC6A9CHRNA7
SCHEMBL6142473 0.83 KEAP1 (0.44) KDM4EALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL4854510 0.83 KEAP1 (0.44) KDM4EALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL4846127 0.81 CHRNA7 (0.48) KDM4EALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL4845634 0.81 CHRNA7 (0.48) KDM4EALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL3684552 0.81 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL3685247 0.80 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2MEN1LMNA

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 7 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
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP claimed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO 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