SCHEMBL7818586

SCHEMBL7818586

CC(C)(C)OC(=O)NCC[C@H]1CC[C@H](COS(C)(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
ACACB O00763 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL7818592 1.00 EPHX1 (0.44) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL20855666 0.87 ACACB (0.49) EPHX1KMT2AACACBCTSSCTSK
SCHEMBL7817527 0.87 ACACB (0.49) EPHX1KMT2AACACBCTSSCTSK
SCHEMBL7817521 0.87 ACACB (0.49) EPHX1KMT2AACACBCTSSCTSK
SCHEMBL12648114 0.85 EPHX1 (0.55) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL4443369 0.83 EPHX1 (0.44) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL4443371 0.83 EPHX1 (0.44) EPHX1TDP1KMT2AMEN1GAA
SCHEMBL1498384 0.82 DRD2 (0.45) EPHX1KMT2AGAACA1CA2
SCHEMBL1498385 0.82 DRD2 (0.45) EPHX1KMT2AGAACA1CA2
SCHEMBL1498493 0.82 DRD2 (0.45) EPHX1KMT2AGAACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798298-B1 THIAZOLIDINONE OR OXAZOLIDINONE DERIVATIVES TO TREAT ANGINA PECTORIS OR COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENT SANKYO CO (JP) 2001-08-08 EP disclosed
US-5843973-A Thiazolidinone compounds and composition for angina pectoris comprising the compounds as an active ingredient SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0798298-A1 THIAZOLIDINONE COMPOUNDS OR ANGINA PECTORIS REMEDY OR PREVENTIVE CONTAINING THE SAME AS ACTIVE INGREDIENT SANKYO COMPANY LIMITED (JP) 1997-10-01 EP disclosed