SCHEMBL13273640

SCHEMBL13273640

Cc1ccc(-c2ccc(Cl)c(CF)c2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.40
ACACA Q13085 11/20 0.40
IL2 P60568 3/20 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
SCHEMBL12129072 0.86 ACACB (0.44) ACACBACACAIL2
SCHEMBL12129063 0.86 ACACB (0.41) ACACBACACAIL2
SCHEMBL12129062 0.85 ACACB (0.53) ACACBACACAIL2
SCHEMBL12128937 0.83 ACACB (0.50) ACACBACACAIL2
SCHEMBL12129070 0.83 ACACB (0.41) ACACBACACA
SCHEMBL12101750 0.81 PDE3B (0.34) ACACBACACA
SCHEMBL12101753 0.81 KDM4E (0.34) ACACBACACAIL2
SCHEMBL12129087 0.81 ACACB (0.39) ACACBACACAIL2
SCHEMBL12129066 0.80 ACACB (0.38) ACACBACACAIL2
SCHEMBL12128979 0.80 ACACB (0.38) ACACBACACAIL2

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
WO-2010081688-A2 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AND THEIR USE AS INSECTICIDES, ACARICIDES AND/OR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-07-22 WO disclosed