SCHEMBL7396306

SCHEMBL7396306

COC(=O)C(=O)NCCc1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
EPHX1 P07099 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 4/20 0.56
PDE4B Q07343 5/20 0.54
PDE4A P27815 4/20 0.54
PDE4C Q08493 4/20 0.54
PDE4D Q08499 4/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.51
RECQL P46063 1/20 0.51
APOBEC3A P31941 1/20 0.51
HTT P42858 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51

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
Dimethylformamide SCHEMBL9270128 0.94 MEN1 (0.53) MEN1EPHX1KMT2AALDH1A1PDE4B
SCHEMBL7349128 0.93 PDE4B (0.53) MEN1EPHX1KMT2AALDH1A1PDE4B
SCHEMBL7361467 0.91 MEN1 (0.58) MEN1EPHX1KMT2AALDH1A1PDE4B
SCHEMBL6816260 0.91 KMT2A (0.58) MEN1EPHX1KMT2AALDH1A1PDE4B
SCHEMBL7367212 0.90 MEN1 (0.57) MEN1EPHX1KMT2AALDH1A1PDE4B
SCHEMBL9275728 0.90 MEN1 (0.57) MEN1EPHX1KMT2AALDH1A1PDE4B
SCHEMBL9273289 0.89 MEN1 (0.56) MEN1EPHX1KMT2AALDH1A1PDE4B
SCHEMBL8571660 0.88 KMT2A (0.61) MEN1EPHX1KMT2APDE4BPDE4A
SCHEMBL8570021 0.88 MEN1 (0.61) MEN1EPHX1KMT2APDE4BPDE4A
SCHEMBL7367210 0.88 MEN1 (0.55) MEN1EPHX1KMT2AALDH1A1PDE4B

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