SCHEMBL7362499

SCHEMBL7362499

COc1ccc(CCNC(=O)C(=O)NCc2ccc(N)cc2)cc1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
PDE4A P27815 3/20 0.57
PDE4B Q07343 3/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57
POLB P06746 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
EPHX1 P07099 1/20 0.53
LMNA P02545 1/20 0.52
NOX4 Q9NPH5 1/20 0.51
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL9275350 0.89 ALDH1A1 (0.60) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL9273289 0.87 MEN1 (0.56) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL9272922 0.87 ALDH1A1 (0.58) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL6816260 0.87 KMT2A (0.58) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL9272449 0.86 ALDH1A1 (0.57) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL9275728 0.86 MEN1 (0.57) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7367212 0.86 MEN1 (0.57) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7396306 0.85 MEN1 (0.58) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7361467 0.85 MEN1 (0.58) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL8571660 0.85 KMT2A (0.61) PDE4APDE4BPDE4CPDE4DMEN1

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-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed