SCHEMBL13065046

SCHEMBL13065046

CCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)[C@H]2[C@@H]3CC[C@@H](C(=N)C3)[C@H]2C1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.34
ACACA Q13085 5/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL13065648 1.00 ACACB (0.34) ACACBACACAEDNRBEDNRA
SCHEMBL432195 0.90 EDNRB (0.34) ACACBACACAEDNRBEDNRA
SCHEMBL432181 0.87 EDNRB (0.32) ACACBACACAEDNRBEDNRA
SCHEMBL431046 0.86 EDNRB (0.38) ACACBACACAEDNRBEDNRA
SCHEMBL431036 0.84 ACACB (0.35) ACACBACACAEDNRBEDNRA
SCHEMBL432701 0.84 ACACB (0.33) ACACBACACAEDNRBEDNRA
SCHEMBL432710 0.82 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRA
SCHEMBL431272 0.82 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRA
SCHEMBL432716 0.82 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRA
SCHEMBL430149 0.82 SMN1; SMN2 (0.37) ACACBACACAEDNRBEDNRA

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-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed