SCHEMBL8722335

SCHEMBL8722335

CC(=O)OCC(COC(C)=O)Cc1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
MMP8 P22894 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
CHRM1 P11229 1/20 0.36

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
SCHEMBL6154419 0.86 ALDH1A1 (0.58) ALDH1A1PPARGPPARAMMP8ALPI
SCHEMBL8720916 0.85 KMT2A (0.37) ALDH1A1NPY1RNPY2RKMT2AMEN1
SCHEMBL15502150 0.82 THRB (0.41) ALDH1A1NPY1RNPY2RKMT2AMEN1
SCHEMBL159711 0.80 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1L3MBTL1PTGS1
SCHEMBL14063388 0.80 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1L3MBTL1PTGS1
SCHEMBL6154390 0.78 ALDH1A1 (0.53) ALDH1A1PPARGPPARAMMP8ALPI
SCHEMBL6155033 0.78 ALDH1A1 (0.53) ALDH1A1PPARGPPARAMMP8ALPI
SCHEMBL6153592 0.78 ALDH1A1 (0.53) ALDH1A1PPARGPPARAMMP8ALPI
SCHEMBL13777821 0.77 RAD52 (0.48) ALDH1A1L3MBTL1GLATSHRCHRM1
Acetic Acid SCHEMBL8073475 0.77 ALDH1A1 (0.51) ALDH1A1PPARGPPARAMMP8ALPI

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
EP-0868682-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE Akzo Nobel N.V. (NL) 1998-10-07 EP disclosed
US-5776375-A CONTAINING NONLINEAR OPTICALLY ACTIVE POLYMER AKZO NOBEL N.V. (NL) 1998-07-07 US disclosed
WO-1997023807-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE AKZO NOBEL N.V. (NL) 1997-07-03 WO disclosed
EP-0780722-A1 Electro-optical device stable in the 600-1600 nanometer wavelength range Akzo Nobel N.V. (NL) 1997-06-25 EP disclosed