SCHEMBL14966922

SCHEMBL14966922

O=C(O)c1ccc(CCOC2CCOC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.45
PDE4A P27815 7/20 0.45
PDE4B Q07343 7/20 0.45
PDE4C Q08493 7/20 0.45
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
RARB P10826 1/20 0.37

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
SCHEMBL14966696 0.92 KMT2A (0.40) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL14966656 0.85 CYP4A11 (0.47) PDE4DPDE4APDE4BPDE4C
SCHEMBL1422047 0.81 KMT2A (0.49) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL14967005 0.80 KMT2A (0.51) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL14966407 0.80 TAAR1 (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL14966956 0.77 CYP4A11 (0.49) KMT2AMEN1
SCHEMBL19859011 0.75 ALDH1A1 (0.57) PDE4DPDE4APDE4BPDE4C
SCHEMBL19859012 0.75 ALDH1A1 (0.57) PDE4DPDE4APDE4BPDE4C
SCHEMBL19859013 0.75 ALDH1A1 (0.57) PDE4DPDE4APDE4BPDE4C
SCHEMBL7142115 0.74 MEN1 (0.41) PDE4DPDE4APDE4BPDE4CKMT2A

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-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed