SCHEMBL8488343

SCHEMBL8488343

COC(=O)c1ccc(Cl)c(C(=O)OC)c1SC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
GLA P06280 2/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38

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
SCHEMBL8490652 0.90 ALDH1A1 (0.44) ABL1RXFP1KDM4EGAAGLA
SCHEMBL8488182 0.88 ABL1 (0.39) ABL1RXFP1KDM4EGAALMNA
SCHEMBL8492785 0.83 ABL1 (0.42) ABL1RXFP1KDM4EGAAGLA
SCHEMBL8492240 0.80 ABL1 (0.40) ABL1RXFP1KDM4EGAALMNA
SCHEMBL7467250 0.79 ABL1 (0.47) ABL1KDM4EGAAGLALMNA
SCHEMBL8391653 0.79 ABL1 (0.41) ABL1RXFP1KDM4EGAALMNA
SCHEMBL8389310 0.79 ABL1 (0.41) ABL1RXFP1KDM4EGAALMNA
SCHEMBL7572981 0.78 ABL1 (0.39) ABL1RXFP1KDM4EGAALMNA
SCHEMBL8490691 0.78 ABL1 (0.39) ABL1RXFP1KDM4EGAAGLA
SCHEMBL31620807 0.78 NR4A2 (0.49) ABL1RXFP1KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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