SCHEMBL13069977

SCHEMBL13069977

CCOC(=O)OC1=C(c2c(C)cc(Cl)cc2Cl)C(=O)NC12CCCC(OC)C2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.37
ACACA Q13085 7/20 0.37
MAPK1 P28482 1/20 0.32
PDE7B Q9NP56 8/20 0.31

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
SCHEMBL12214971 0.94 ACACB (0.41) ACACBACACAMAPK1
SCHEMBL732322 0.89 ACACB (0.41) ACACBACACAMAPK1PDE7B
SCHEMBL13039847 0.84 ACACB (0.36) ACACBACACAMAPK1PDE7B
SCHEMBL12329323 0.83 ACACB (0.47) ACACBACACAPDE7B
SCHEMBL13963573 0.83 SLC6A4 (0.31) MAPK1
SCHEMBL4651614 0.81 ACACB (0.41) ACACBACACA
SCHEMBL15472957 0.81 ACACB (0.33) ACACBACACAMAPK1
SCHEMBL16480195 0.81 ACACB (0.41) ACACBACACA
SCHEMBL14129321 0.81 ACACB (0.43) ACACBACACA
SCHEMBL13103234 0.80 ACACB (0.41) ACACBACACAMAPK1

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
US-8410289-B2 Spirocyclic 3'-alkoxytetramic acids and-tetronic acids BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-8410289-B2 Spirocyclic 3'-alkoxytetramic acids and-tetronic acids BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
EP-2246328-A1 3'-Alkoxy spirocyclic tetronic acid derivatives Bayer CropScience AG (DE) 2010-11-03 EP disclosed