SCHEMBL9861817

SCHEMBL9861817

CCC(=O)C1=C(O)CC(c2c(C)c(OC)c(C)c3c2CCCC3=O)CC1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.32
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9861290 0.85 RAB9A (0.36) BRD4RAB9AMEN1KMT2A
SCHEMBL9861285 0.85 RAB9A (0.36) BRD4RAB9AMEN1KMT2A
SCHEMBL10503346 0.79 L3MBTL1 (0.37) RAB9AMEN1KMT2A
SCHEMBL10678641 0.77 RAB9A (0.41) RAB9AMEN1KMT2A
SCHEMBL9861185 0.75 MAPT (0.46) BRD4NPSR1
SCHEMBL9722677 0.74 RAB9A (0.31) RAB9A
SCHEMBL9861251 0.73 BRD4 (0.31) BRD4
SCHEMBL9861257 0.73 BRD4 (0.31) BRD4
SCHEMBL9727101 0.72 RAB9A (0.30) RAB9A
SCHEMBL9722674 0.71 RAB9A (0.39) RAB9AMEN1KMT2ANPSR1

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
EP-0176294-B1 CYCLOHEXANE-1,3-DIONE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PROCESSES FOR PREPARING THEM, AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1991-06-05 EP disclosed
US-4639267-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-01-27 US disclosed
EP-0176294-A1 Cyclohexane-1,3-dione derivatives, compositions containing them, processes for preparing them, and their use as herbicides and plant growth regulators ICI AUSTRALIA LIMITED (AU) 1986-04-02 EP disclosed