SCHEMBL8490652

SCHEMBL8490652

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
ABL1 P00519 1/20 0.37
TSHR P16473 2/20 0.37
DPP4 P27487 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36

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 0.90 ABL1 (0.42) ALDH1A1KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL8492356 0.84 CA12 (0.41) ALDH1A1KDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL7467697 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL8493680 0.79 CLCN2 (0.42) ALDH1A1KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL8488182 0.79 ABL1 (0.39) ALDH1A1KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL8387656 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL8491961 0.78 NOTUM (0.41) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL8491810 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL8492766 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL8492600 0.76 TSHR (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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