SCHEMBL14952902

SCHEMBL14952902

CC(C)[C@H]1C/C=C/C[C@@H](C)[CH]CCCC(=O)O1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL14953054 1.00 CA1 (0.30) CA1CA9
SCHEMBL14966060 1.00 CA1 (0.30) CA1CA9
SCHEMBL14968783 0.81 CA1 (0.34) CA1CA9
SCHEMBL14968959 0.74 CA1 (0.32) CA1CA9
SCHEMBL14953219 0.74 CA1 (0.32) CA1CA9
SCHEMBL16218840 0.74 CA1 (0.32) CA1CA9
SCHEMBL14953218 0.74 CA1 (0.32) CA1CA9
SCHEMBL14965768 0.73
SCHEMBL14952944 0.73
SCHEMBL14965767 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780336-B1 STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN PASTEUR INSTITUT (FR) 2017-07-19 EP claimed
US-9598393-B2 Structural variants of mycolactones for use in modulating inflammation, immunity and pain INSTITUT PASTEUR (FR) 2017-03-21 US claimed
EP-2780336-A1 STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN Institut Pasteur (FR) 2014-09-24 EP claimed
WO-2013072896-A1 STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN INSTITUT PASTEUR (FR) 2013-05-23 WO claimed
EP-2594561-A1 Structural variants of mycolactones for use in modulating inflammation, immunity and pain INSTITUT PASTEUR (FR) 2013-05-22 EP claimed
EP-2780336-B1 STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN PASTEUR INSTITUT (FR) 2017-07-19 EP disclosed
EP-2780336-A1 STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN Institut Pasteur (FR) 2014-09-24 EP disclosed
WO-2013072896-A1 STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN INSTITUT PASTEUR (FR) 2013-05-23 WO disclosed
EP-2594561-A1 Structural variants of mycolactones for use in modulating inflammation, immunity and pain INSTITUT PASTEUR (FR) 2013-05-22 EP disclosed