SCHEMBL9324464

SCHEMBL9324464

CCO/C=C(\C(=O)c1ccc(OS(C)(=O)=O)cc1Cl)C(=O)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
GSTP1 P09211 1/20 0.31
THRB P10828 2/20 0.31
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
JAK1 P23458 1/20 0.30
PPARG P37231 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL9324471 1.00 PPARA (0.34) PPARAENPP3ENPP1ALDH1A1MMP1
SCHEMBL8489165 0.85 MEN1 (0.38) ALDH1A1PPARG
SCHEMBL8489163 0.85 MEN1 (0.38) ALDH1A1PPARG
SCHEMBL8491832 0.83 KMT2A (0.39) ALDH1A1THRB
SCHEMBL8491834 0.83 KMT2A (0.39) ALDH1A1THRB
SCHEMBL7685397 0.82 EPHX2 (0.40) MMP2PPARG
SCHEMBL7685401 0.82 EPHX2 (0.40) MMP2PPARG
SCHEMBL8494935 0.79 KMT2A (0.39) GSTP1
SCHEMBL8492452 0.79 HTT (0.37) ALDH1A1
SCHEMBL8684077 0.79 KMT2A (0.39) GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371063-A Herbicidal 4-benzoylisoxazoles RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-06 US disclosed
EP-0609797-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed