SCHEMBL7822973

SCHEMBL7822973

O=[N+]([O-])OCCCCC1CC#CCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32

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
SCHEMBL7828202 0.97
SCHEMBL7828796 0.90 MMP2 (0.31)
SCHEMBL7827380 0.80 ALDH1A1 (0.30)
SCHEMBL7815773 0.77 CA12 (0.32) CA12CA1CA2CA4CA9
SCHEMBL7816850 0.75 CA2 (0.37) CA12CA1CA2CA4CA9
SCHEMBL7818518 0.73 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL7822230 0.72
Hydrochloric Acid SCHEMBL7809856 0.72 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL7808196 0.71 CA2 (0.37) CA12CA1CA2CA4CA9
SCHEMBL7818904 0.70 CA12 (0.36) CA12CA1CA2CA4CA9

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
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