SCHEMBL14014365

SCHEMBL14014365

CCc1ccc(-c2cccc[n+]2[O-])cc1C1=C(O)C2CCC(C2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 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
SCHEMBL12115762 1.00 GABRG2 (0.32) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL12116108 1.00 GABRG2 (0.32) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL13285089 0.89 GABRG2 (0.32) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL15099664 0.86 GABRG2 (0.31) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL12115788 0.82 CYP26A1 (0.36)
SCHEMBL18971530 0.82 CYP26A1 (0.36)
SCHEMBL18971531 0.78 PTGS1 (0.32)
SCHEMBL12115794 0.78 PTGS1 (0.32)
SCHEMBL18971732 0.78 FYN (0.41)
SCHEMBL18971720 0.77 PTGS2 (0.35)

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-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed