SCHEMBL8569827

SCHEMBL8569827

COc1ccc(CCNC(=O)CNC(=O)OC(C)(C)C)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.52
PDE4A P27815 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
MEN1 O00255 1/20 0.51
EPHX1 P07099 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
APOBEC3A P31941 1/20 0.49
HTT P42858 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
NAMPT P43490 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8569164 0.93 KMT2A (0.55) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL9268912 0.87 MEN1 (0.49) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL8571467 0.83 MEN1 (0.58) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL8572301 0.82 KMT2A (0.57) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL8571274 0.82 MEN1 (0.57) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL8570021 0.81 MEN1 (0.61) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL8571660 0.81 KMT2A (0.61) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL903446 0.79 CA12 (0.64) MEN1KMT2AALDH1A1
SCHEMBL31432851 0.79 CA12 (0.64) MEN1KMT2AALDH1A1
SCHEMBL7396306 0.79 MEN1 (0.58) PDE4BPDE4APDE4CPDE4DMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710180-A TREATING ALLERGIC AND INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1998-01-20 US disclosed