SCHEMBL8489151

SCHEMBL8489151

CC(C)(O)c1c(F)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDK1 Q15118 3/20 0.39
PDK2 Q15119 3/20 0.39
PDK3 Q15120 3/20 0.39
PDK4 Q16654 3/20 0.39
TAAR1 Q96RJ0 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
LMNA P02545 1/20 0.35
BACE1 P56817 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10669681 0.87 CES2 (0.40) PDK1PDK2PDK3PDK4HSD11B1
SCHEMBL802985 0.83 GAA (0.41) GAAMAPTRAB9ANPSR1TAAR1
SCHEMBL30728872 0.79 TAAR1 (0.42) GAAMAPTRAB9ANPSR1TAAR1
SCHEMBL21718832 0.79 TAAR1 (0.38) GAAMAPTRAB9ANPSR1TAAR1
SCHEMBL17972850 0.79 TAAR1 (0.42) GAAMAPTRAB9ANPSR1TAAR1
SCHEMBL27879107 0.78 TAAR1 (0.43) GAATAAR1LMNABACE1KDM4E
SCHEMBL25257539 0.77 KDM4E (0.44) GAAMAPTRAB9ANPSR1PDK1
SCHEMBL15501814 0.77 GAA (0.42) GAAMAPTRAB9ANPSR1PDK1
SCHEMBL9265913 0.77 PGR (0.39) PDK1PDK2PDK3PDK4LMNA
SCHEMBL18494712 0.76 TAAR1 (0.40) GAAMAPTRAB9ANPSR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1057524-C Herbicides RHONE POULENC AGROCH (GB) 2000-10-18 CN disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
EP-0560482-B1 4-Benzoyl isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-08-06 EP disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0560482-A1 4-Benzoyl isoxazoles derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-09-15 EP disclosed
CN-1076194-A Weedicide RHONE POULENC AGRICULTURE (GB) 1993-09-15 CN disclosed