SCHEMBL5152416

SCHEMBL5152416

O=C(O)OC1CCCN(C(=O)Cc2cc(C(=O)O)ccc2OCCCc2ccc(OCCCCOC3CCCCC3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.52
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PDE4B Q07343 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
BCHE P06276 3/20 0.33

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
SCHEMBL5155162 0.94 CYSLTR2 (0.54) CYSLTR2MEN1KMT2AMAPTHRH3
SCHEMBL5110467 0.91 CYSLTR2 (0.60) CYSLTR2MEN1KMT2ALMNAMAPK1
SCHEMBL5125683 0.88 CYSLTR2 (0.61) CYSLTR2MEN1KMT2AMAPTHRH3
SCHEMBL14131825 0.86 CYSLTR2 (0.60) CYSLTR2MEN1KMT2AALDH1A1HRH3
SCHEMBL5174823 0.86 CYSLTR2 (0.43) CYSLTR2MEN1KMT2ALMNAMAPK1
SCHEMBL14145205 0.84 CYSLTR2 (0.61) CYSLTR2MEN1KMT2AMAPTPLA2G4B
SCHEMBL5155579 0.83 CYSLTR2 (0.44) CYSLTR2MEN1KMT2AHRH3
SCHEMBL5113803 0.82 POLB (0.48) CYSLTR2KMT2AGAAHPGDALDH1A1
SCHEMBL5155332 0.79 CYSLTR2 (0.45) CYSLTR2HRH3
SCHEMBL5118877 0.79 CYSLTR2 (0.58) CYSLTR2MEN1KMT2ALMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740540-A1 PHENYL ACETAMIDES Bayer HealthCare AG (DE) 2007-01-10 EP disclosed
WO-2005103001-A1 PHENYL ACETAMIDES BAYER HEALTHCARE AG (DE) 2005-11-03 WO disclosed