SCHEMBL8488182

SCHEMBL8488182

C=C(C)c1c(Cl)ccc(C(=O)OC)c1SC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NR4A2 P43354 2/20 0.35

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
SCHEMBL8488343 0.88 ABL1 (0.42) ABL1RXFP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8493680 0.83 CLCN2 (0.42) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL8492574 0.80 ABL1 (0.41) ABL1ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL8490652 0.79 ALDH1A1 (0.44) ABL1RXFP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8492785 0.78 ABL1 (0.42) ABL1RXFP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8492240 0.75 ABL1 (0.40) ABL1RXFP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8389310 0.74 ABL1 (0.41) ABL1RXFP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8391653 0.74 ABL1 (0.41) ABL1RXFP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7572981 0.73 ABL1 (0.39) ABL1RXFP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8490691 0.73 ABL1 (0.39) ABL1RXFP1ALDH1A1SMN1; SMN2MEN1

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