SCHEMBL9333344

SCHEMBL9333344

CCC(=O)C1C(=O)CC(C=O)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL9333656 0.79
SCHEMBL7965133 0.77 ALDH1A1 (0.38) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL1159811 0.76 ALDH1A1 (0.33) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL15255433 0.75 ALDH1A1 (0.43) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL10348509 0.75 MAPT (0.37) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL30999660 0.74 KDM4E (0.34) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL1901617 0.74 KDM4E (0.34) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL125826 0.73 POLB (0.36) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL10554478 0.73 BRD4 (0.38) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL180151 0.72 POLB (0.35) KDM4EALDH1A1POLBMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422537-B1 Cyclohexenone compounds, process for their preparation and their use as herbicides or plant growth regulators BASF AG (DE) 1994-05-11 EP disclosed
EP-0422493-B1 Process for the preparation of cyclohexane trione carboxylic acid thiol esters and intermediate products BASF AG (DE) 1993-12-29 EP disclosed
US-5194650-A Chemical intermediates which can be hydrolyzed to form arylcyclohexadionethiocarboxylic S-ester as bioregulators BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-5130453-A Multistage reaction of acylcyclohexadione, reaction with hydroxylamine derivative and mercaptan BASF AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
US-5085689-A Preemergence and postemergence treatment BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
EP-0422537-A1 Cyclohexenone compounds, process for their preparation and their use as herbicides or plant growth regulators BASF Aktiengesellschaft (DE) 1991-04-17 EP disclosed
EP-0422493-A1 Process for the preparation of cyclohexane trione carboxylic acid thiol esters and intermediate products BASF Aktiengesellschaft (DE) 1991-04-17 EP disclosed