SCHEMBL7574453

SCHEMBL7574453

O=C(c1ccc(Br)cc1CS(=O)(=O)CC(F)(F)F)c1cnoc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
EPHX2 P34913 1/20 0.31
PDE2A O00408 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
SCHEMBL7575613 0.89 DHODH (0.33) DHODHPDE2A
SCHEMBL9116338 0.87 DHODH (0.33) DHODH
SCHEMBL7576379 0.86 PDE2A (0.32) DHODHPDE2A
SCHEMBL6054845 0.85 DHODH (0.33) DHODHPDE2A
SCHEMBL7573690 0.85 DHODH (0.31) DHODH
SCHEMBL7576484 0.84 DHODH (0.34) DHODHEPHX2PDE2A
SCHEMBL7573217 0.84 DHODH (0.32) DHODHPDE2A
SCHEMBL9115791 0.82 DHODH (0.30) DHODH
SCHEMBL7582770 0.82 CA12 (0.36) DHODH
SCHEMBL7575637 0.81 DHODH (0.39) DHODHEPHX2

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