SCHEMBL7576281

SCHEMBL7576281

COc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1C[S+](C)[O-]

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.33
NR1H4 Q96RI1 5/20 0.32
DHODH Q02127 3/20 0.31
PDE2A O00408 1/20 0.31
EPHX2 P34913 1/20 0.30
PDE4B Q07343 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
SCHEMBL7575155 0.88 PDE2A (0.33) DHODHPDE2AEPHX2
SCHEMBL7573986 0.87 PDE2A (0.33) DHODHPDE2AEPHX2
SCHEMBL27288096 0.86 PDE2A (0.32) DHODHPDE2A
SCHEMBL9115295 0.86 PDE4D (0.35) PDE4DNR1H4DHODHPDE4B
SCHEMBL9115217 0.85 DHODH (0.32) PDE4DNR1H4DHODHPDE2AEPHX2
SCHEMBL7577500 0.85 PDE2A (0.32) DHODHPDE2AEPHX2
SCHEMBL27294090 0.85 PDE2A (0.34) NR1H4DHODHPDE2AEPHX2
SCHEMBL7573455 0.85 DHODH (0.34) NR1H4DHODHPDE2AEPHX2
SCHEMBL7575367 0.84 PDE4D (0.34) PDE4DNR1H4DHODHPDE2APDE4B
SCHEMBL7573447 0.83 PDE2A (0.31) DHODHPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP claimed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP claimed
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed