SCHEMBL7575637

SCHEMBL7575637

O=C(c1ccc(Br)cc1CSCC(F)(F)F)c1cnoc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.39
EPHX2 P34913 2/20 0.32
POLB P06746 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
SCHEMBL7574237 0.88 DHODH (0.33) DHODHPOLB
SCHEMBL7574312 0.86 DHODH (0.32) DHODHEPHX2POLB
SCHEMBL6558596 0.86 DHODH (0.34) DHODHPOLB
SCHEMBL7576297 0.85 DHODH (0.31) DHODH
SCHEMBL9116177 0.85 DHODH (0.31) DHODH
SCHEMBL7573788 0.85 DHODH (0.34) DHODHEPHX2POLB
SCHEMBL7573022 0.83 DHODH (0.32) DHODHEPHX2POLB
SCHEMBL9117383 0.82 DHODH (0.33) DHODH
SCHEMBL7575068 0.82 KMT2A (0.34) DHODHPOLB
SCHEMBL8887472 0.82 DHODH (0.38) 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