SCHEMBL9861285

SCHEMBL9861285

CCO/N=C(/CC)C1=C(O)CC(c2c(C)c(OC)c(C)c3c2CCCC3=O)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.31
BRD4 O60885 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 1.00 RAB9A (0.36) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL9861817 0.85 BRD4 (0.32) RAB9AMEN1KMT2ABRD4
SCHEMBL10503040 0.81 RAB9A (0.42) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL10503036 0.81 RAB9A (0.42) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL9861251 0.81 BRD4 (0.31) BRD4
SCHEMBL9861257 0.81 BRD4 (0.31) BRD4
SCHEMBL10506427 0.81 RAB9A (0.42) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL10506420 0.81 RAB9A (0.42) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL10680083 0.80 RAB9A (0.47) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL10680089 0.80 RAB9A (0.47) RAB9ALMNAMAPTMEN1KMT2A

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 2 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