SCHEMBL7808196

SCHEMBL7808196

O=[N+]([O-])OCCCC1CC[CH]CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA4 P22748 4/20 0.37
CA9 Q16790 4/20 0.37
ALDH1A1 P00352 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
PTGS2 P35354 3/20 0.31
ESR2 Q92731 1/20 0.30

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
SCHEMBL7816850 0.96 CA2 (0.37) CA2CA12CA1CA4CA9
SCHEMBL7818904 0.91 CA12 (0.36) CA2CA12CA1CA4CA9
SCHEMBL7822303 0.89 MMP2 (0.38) CA2CA12CA1CA4CA9
SCHEMBL7818518 0.88 CA12 (0.36) CA2CA12CA1CA4CA9
SCHEMBL7809279 0.80 MMP2 (0.34) CA2CA12CA1CA4CA9
Hydrochloric Acid SCHEMBL7837419 0.77 CA12 (0.33) CA2CA12CA1CA4CA9
Hydrochloric Acid SCHEMBL7816674 0.77 CA12 (0.33) CA2CA12CA1CA4CA9
Hydrochloric Acid SCHEMBL7817133 0.77 CA12 (0.33) CA2CA12CA1CA4CA9
SCHEMBL7817737 0.77 MMP2 (0.35) ALDH1A1MMP2MMP9
Hydrochloric Acid SCHEMBL7809856 0.76 CA12 (0.36) CA2CA12CA1CA4CA9

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 6 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 claimed
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 claimed
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 claimed
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