SCHEMBL9722664

SCHEMBL9722664

CCC(=O)C1=CCC(c2c(C)cc3c(c2C)CCC3)CC1=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 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
SCHEMBL10703286 0.76
SCHEMBL8058626 0.70
SCHEMBL8058582 0.69
SCHEMBL8058854 0.68
SCHEMBL9173112 0.66 SMN1; SMN2 (0.31)
SCHEMBL8068095 0.66
SCHEMBL8059011 0.65
SCHEMBL8059004 0.64
SCHEMBL8061091 0.62
SCHEMBL9722674 0.60 RAB9A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110989-A Pre- and postemergence; plant growth regulators ICI AUSTRALIA LIMITED (AU) 1992-05-05 US disclosed
US-4952722-A CYCLOHEX-2-EN-1-ONE DERIVATIVES; HERBICIDES ICI AUSTRALIA LIMITED (AU) 1990-08-28 US disclosed
EP-0086588-B1 CYCLOHEXANEDIONE DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM ICI AUSTRALIA LIMITED (AU) 1987-07-01 EP disclosed
EP-0086588-A2 Cyclohexanedione derivatives, their use as herbicides, herbicidal compositions containing them, and methods of preparing them ICI AUSTRALIA LIMITED (AU) 1983-08-24 EP disclosed